Merge branch 'development' of magit1.mpie.de:damask/DAMASK into development
This commit is contained in:
Martin Diehl
commit
051f3592ea
2
PRIVATE
2
PRIVATE
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@ -1 +1 @@
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Subproject commit 17d61f88ce2d386d40b45a002d43556bfbb27340
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Subproject commit 8de4f792a46d98d98418dbf2d3e621b22c13b18a
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@ -0,0 +1,7 @@
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elasticity hooke
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c11 160.0e9
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c12 90.0e9
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c13 66.0e9
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c33 181.7e9
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c44 46.5e9
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@ -0,0 +1,11 @@
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elasticity hooke
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c11 100.0e9
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c22 100.0e9
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c33 100.0e9
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c12 0.0e9
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c13 0.0e9
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c23 0.0e9
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c44 50.0e9
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c55 50.0e9
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c66 50.0e9
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@ -0,0 +1,4 @@
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elasticity hooke
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c11 100.0e9
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c12 0.0e9
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@ -0,0 +1,3 @@
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reference_temperature 300.0
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specific_heat 1
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mass_density 1
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@ -0,0 +1,8 @@
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(kinematics) thermal_expansion
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thermal_expansion11 9.5e-6
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thermal_expansion22 9.5e-6
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thermal_expansion33 5.6e-6
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(source) thermal_externalheat
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externalheat_time 0 500 500.001 1000 # 500 secs supplying 1 Watt, then removing 1 Watt
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externalheat_rate 1 1 -1 -1
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@ -0,0 +1,9 @@
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(kinematics) thermal_expansion
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thermal_expansion11 5e-6
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thermal_expansion22 10e-6
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thermal_expansion33 20e-6
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lattice_structure orthorhombic
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(source) thermal_externalheat
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externalheat_time 0 500 500.001 1000 # 500 secs supplying 1 Watt, then removing 1 Watt
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externalheat_rate 1 1 -1 -1
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@ -0,0 +1,6 @@
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(kinematics) thermal_expansion
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thermal_expansion11 10e-6
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(source) thermal_externalheat
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externalheat_time 0 500 500.001 1000 # 500 secs supplying 1 Watt, then removing 1 Watt
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externalheat_rate 1 1 -1 -1
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@ -0,0 +1,427 @@
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9 header
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geom_addPrimitive v2.0.1-1073-gc544fa1 -c 32 32 32 -d -16 -16 -16 inclusion.geom
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geom_canvas v2.0.1-1073-gc544fa1 -o 16 16 16 -g 32 32 32
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geom_translate v2.0.1-1073-gc544fa1 -s 1,2,2,6 Ti_Ti.geom
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geom_pack v2.0.1-1073-gc544fa1 Ti_Ti.geom isotropic_anisotropic.geom isotropic_isotropic.geom isotropic_rotated.geom
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grid a 32 b 32 c 32
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size x 0.5 y 0.5 z 0.5
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origin x 0.25 y 0.25 z 0.25
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homogenization 1
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microstructures 2
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geom_addPrimitive v2.0.1-1073-gc544fa1 -c 32 32 32 -d -16 -16 -16 inclusion.geom
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geom_canvas v2.0.1-1073-gc544fa1 -o 16 16 16 -g 32 32 32
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geom_translate v2.0.1-1073-gc544fa1 -s 2,4 isotropic_anisotropic.geom
|
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geom_pack v2.0.1-1073-gc544fa1 Ti_Ti.geom isotropic_anisotropic.geom isotropic_isotropic.geom isotropic_rotated.geom
|
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grid a 32 b 32 c 32
|
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size x 0.5 y 0.5 z 0.5
|
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origin x 0.25 y 0.25 z 0.25
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homogenization 1
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@ -0,0 +1,427 @@
|
||||||
|
9 header
|
||||||
|
geom_addPrimitive v2.0.1-1073-gc544fa1 -c 32 32 32 -d -16 -16 -16 inclusion.geom
|
||||||
|
geom_canvas v2.0.1-1073-gc544fa1 -o 16 16 16 -g 32 32 32
|
||||||
|
geom_translate v2.0.1-1073-gc544fa1 -s 2,3 isotropic_isotropic.geom
|
||||||
|
geom_pack v2.0.1-1073-gc544fa1 Ti_Ti.geom isotropic_anisotropic.geom isotropic_isotropic.geom isotropic_rotated.geom
|
||||||
|
grid a 32 b 32 c 32
|
||||||
|
size x 0.5 y 0.5 z 0.5
|
||||||
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origin x 0.25 y 0.25 z 0.25
|
||||||
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homogenization 1
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microstructures 2
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8623 of 1
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|
@ -0,0 +1,427 @@
|
||||||
|
9 header
|
||||||
|
geom_addPrimitive v2.0.1-1073-gc544fa1 -c 32 32 32 -d -16 -16 -16 inclusion.geom
|
||||||
|
geom_canvas v2.0.1-1073-gc544fa1 -o 16 16 16 -g 32 32 32
|
||||||
|
geom_translate v2.0.1-1073-gc544fa1 -s 2,5 isotropic_rotated.geom
|
||||||
|
geom_pack v2.0.1-1073-gc544fa1 Ti_Ti.geom isotropic_anisotropic.geom isotropic_isotropic.geom isotropic_rotated.geom
|
||||||
|
grid a 32 b 32 c 32
|
||||||
|
size x 0.5 y 0.5 z 0.5
|
||||||
|
origin x 0.25 y 0.25 z 0.25
|
||||||
|
homogenization 1
|
||||||
|
microstructures 2
|
||||||
|
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8 of 5
|
||||||
|
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|
||||||
|
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|
||||||
|
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|
||||||
|
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|
||||||
|
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|
||||||
|
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|
||||||
|
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|
||||||
|
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|
||||||
|
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|
||||||
|
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|
||||||
|
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|
||||||
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|
||||||
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||||||
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||||||
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|
||||||
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|
||||||
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|
||||||
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|
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|
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|
||||||
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|
||||||
|
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|
||||||
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|
||||||
|
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|
||||||
|
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|
||||||
|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
||||||
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|
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|
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|
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|
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|
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||||||
|
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|
||||||
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|
||||||
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
||||||
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|
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|
||||||
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|
||||||
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|
||||||
|
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|
||||||
|
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|
||||||
|
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|
||||||
|
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|
||||||
|
4 of 5
|
||||||
|
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|
||||||
|
2 of 5
|
||||||
|
28 of 1
|
||||||
|
6 of 5
|
||||||
|
25 of 1
|
||||||
|
8 of 5
|
||||||
|
24 of 1
|
||||||
|
8 of 5
|
||||||
|
23 of 1
|
||||||
|
10 of 5
|
||||||
|
22 of 1
|
||||||
|
10 of 5
|
||||||
|
23 of 1
|
||||||
|
8 of 5
|
||||||
|
24 of 1
|
||||||
|
8 of 5
|
||||||
|
25 of 1
|
||||||
|
6 of 5
|
||||||
|
28 of 1
|
||||||
|
2 of 5
|
||||||
|
798 of 1
|
||||||
|
2 of 5
|
||||||
|
29 of 1
|
||||||
|
4 of 5
|
||||||
|
27 of 1
|
||||||
|
6 of 5
|
||||||
|
26 of 1
|
||||||
|
6 of 5
|
||||||
|
27 of 1
|
||||||
|
4 of 5
|
||||||
|
29 of 1
|
||||||
|
2 of 5
|
||||||
|
8623 of 1
|
||||||
|
|
@ -0,0 +1,111 @@
|
||||||
|
#-------------------#
|
||||||
|
<homogenization>
|
||||||
|
#-------------------#
|
||||||
|
|
||||||
|
[direct]
|
||||||
|
type none # isostrain 1 grain
|
||||||
|
|
||||||
|
thermal adiabatic # thermal strain (stress) induced mass transport
|
||||||
|
initialT 300.0
|
||||||
|
(output) temperature
|
||||||
|
|
||||||
|
#-------------------#
|
||||||
|
<crystallite>
|
||||||
|
#-------------------#
|
||||||
|
|
||||||
|
[aLittleSomething]
|
||||||
|
|
||||||
|
(output) texture
|
||||||
|
(output) f
|
||||||
|
(output) p
|
||||||
|
(output) fe
|
||||||
|
(output) fi
|
||||||
|
(output) fp
|
||||||
|
|
||||||
|
#-------------------#
|
||||||
|
<phase>
|
||||||
|
#-------------------#
|
||||||
|
|
||||||
|
#.................
|
||||||
|
[isotropic matrix]
|
||||||
|
|
||||||
|
lattice_structure isotropic
|
||||||
|
plasticity none
|
||||||
|
{config/elastic_isotropic.config}
|
||||||
|
{config/thermal.config}
|
||||||
|
|
||||||
|
#.................
|
||||||
|
[Ti matrix]
|
||||||
|
|
||||||
|
lattice_structure hex
|
||||||
|
covera_ratio 1.587
|
||||||
|
plasticity none
|
||||||
|
{config/elastic_Ti.config}
|
||||||
|
{config/thermal.config}
|
||||||
|
|
||||||
|
#.................
|
||||||
|
[isotropic inclusion]
|
||||||
|
|
||||||
|
lattice_structure isotropic
|
||||||
|
plasticity none
|
||||||
|
{config/elastic_isotropic.config}
|
||||||
|
{config/thermal.config}
|
||||||
|
{config/thermalExpansion_isotropic.config}
|
||||||
|
|
||||||
|
#.................
|
||||||
|
[anisotropic inclusion]
|
||||||
|
|
||||||
|
lattice_structure orthorhombic
|
||||||
|
plasticity none
|
||||||
|
{config/elastic_fullyAnisotropic.config}
|
||||||
|
{config/thermal.config}
|
||||||
|
{config/thermalExpansion_fullyAnisotropic.config}
|
||||||
|
|
||||||
|
#.................
|
||||||
|
[Ti inclusion]
|
||||||
|
|
||||||
|
lattice_structure hex
|
||||||
|
covera_ratio 1.587
|
||||||
|
plasticity none
|
||||||
|
{config/elastic_Ti.config}
|
||||||
|
{config/thermal.config}
|
||||||
|
{config/thermalExpansion_Ti.config}
|
||||||
|
|
||||||
|
#--------------------------#
|
||||||
|
<microstructure>
|
||||||
|
#--------------------------#
|
||||||
|
|
||||||
|
[isotropic matrix]
|
||||||
|
crystallite 1
|
||||||
|
(constituent) phase 1 texture 1 fraction 1.0
|
||||||
|
|
||||||
|
[Ti matrix]
|
||||||
|
crystallite 1
|
||||||
|
(constituent) phase 2 texture 1 fraction 1.0
|
||||||
|
|
||||||
|
[isotropic inclusion]
|
||||||
|
crystallite 1
|
||||||
|
(constituent) phase 3 texture 1 fraction 1.0
|
||||||
|
|
||||||
|
[anisotropic inclusion]
|
||||||
|
crystallite 1
|
||||||
|
(constituent) phase 4 texture 1 fraction 1.0
|
||||||
|
|
||||||
|
[rotated inclusion]
|
||||||
|
crystallite 1
|
||||||
|
(constituent) phase 4 texture 2 fraction 1.0
|
||||||
|
|
||||||
|
[Ti inclusion]
|
||||||
|
crystallite 1
|
||||||
|
(constituent) phase 5 texture 1 fraction 1.0
|
||||||
|
|
||||||
|
#--------------------------#
|
||||||
|
<texture>
|
||||||
|
#--------------------------#
|
||||||
|
|
||||||
|
[cube]
|
||||||
|
(gauss) phi1 0.0 Phi 0.0 phi2 0.0 scatter 0.0 fraction 1.0
|
||||||
|
|
||||||
|
[rotated]
|
||||||
|
(gauss) phi1 0.0 Phi 45.0 phi2 0.0 scatter 0.0 fraction 1.0
|
||||||
|
|
||||||
|
|
@ -0,0 +1,5 @@
|
||||||
|
#spectralsolver polarisation
|
||||||
|
spectralderivative fwbw_difference
|
||||||
|
err_div_tolrel 1e-3
|
||||||
|
itmin 2
|
||||||
|
petsc_options -mech_snes_type anderson -mech_snes_anderson_beta 1.0 -mech_snes_anderson_restart 10 -thermal_snes_type anderson -thermal_snes_anderson_beta 1.0
|
||||||
|
|
@ -0,0 +1,56 @@
|
||||||
|
#!/usr/local/bin/bash
|
||||||
|
|
||||||
|
for geom in $(ls geom/*.geom)
|
||||||
|
do
|
||||||
|
base=${geom%.geom}
|
||||||
|
base=${base#geom/}
|
||||||
|
name=${base}_thermal
|
||||||
|
vtr=${base}.vtr
|
||||||
|
|
||||||
|
[[ -f ${name}.spectralOut ]] || \
|
||||||
|
DAMASK_spectral \
|
||||||
|
--workingdir ./ \
|
||||||
|
--load thermal.load \
|
||||||
|
--geom $geom \
|
||||||
|
> ${name}.out
|
||||||
|
|
||||||
|
if [ ! -f postProc/${name}_inc10.txt ]
|
||||||
|
then
|
||||||
|
postResults ${name}.spectralOut \
|
||||||
|
--ho temperature \
|
||||||
|
--cr f,fe,fi,fp,p \
|
||||||
|
--split \
|
||||||
|
--separation x,y,z \
|
||||||
|
|
||||||
|
addCauchy postProc/${name}_inc*.txt \
|
||||||
|
|
||||||
|
addDeviator postProc/${name}_inc*.txt \
|
||||||
|
--spherical \
|
||||||
|
--tensor p,Cauchy \
|
||||||
|
|
||||||
|
addDisplacement postProc/${name}_inc*.txt \
|
||||||
|
--nodal \
|
||||||
|
|
||||||
|
fi
|
||||||
|
|
||||||
|
geom_check ${geom}
|
||||||
|
|
||||||
|
for inc in {00..10}
|
||||||
|
do
|
||||||
|
echo "generating postProc/${name}_inc${inc}.vtr"
|
||||||
|
cp geom/${vtr} postProc/${name}_inc${inc}.vtr
|
||||||
|
vtk_addRectilinearGridData \
|
||||||
|
postProc/${name}_inc${inc}.txt \
|
||||||
|
--inplace \
|
||||||
|
--vtk postProc/${name}_inc${inc}.vtr \
|
||||||
|
--data 'sph(p)','sph(Cauchy)',temperature \
|
||||||
|
--tensor f,fe,fi,fp,p,Cauchy \
|
||||||
|
|
||||||
|
vtk_addRectilinearGridData \
|
||||||
|
postProc/${name}_inc${inc}_nodal.txt \
|
||||||
|
--inplace \
|
||||||
|
--vtk postProc/${name}_inc${inc}.vtr \
|
||||||
|
--data 'avg(f).pos','fluct(f).pos' \
|
||||||
|
|
||||||
|
done
|
||||||
|
done
|
||||||
|
|
@ -0,0 +1 @@
|
||||||
|
Fdot 0 0 0 0 0 0 0 0 0 stress * * * * * * * * * time 1000 incs 10
|
||||||
|
|
@ -29,9 +29,14 @@ parser.add_option('-m', '--microstructureoffset',
|
||||||
type = 'int', metavar = 'int',
|
type = 'int', metavar = 'int',
|
||||||
help = 'offset (positive or negative) for tagged microstructure indices. '+
|
help = 'offset (positive or negative) for tagged microstructure indices. '+
|
||||||
'"0" selects maximum microstructure index [%default]')
|
'"0" selects maximum microstructure index [%default]')
|
||||||
|
parser.add_option('-n', '--nonperiodic',
|
||||||
|
dest = 'mode',
|
||||||
|
action = 'store_const', const = 'nearest',
|
||||||
|
help = 'assume geometry to be non-periodic')
|
||||||
|
|
||||||
parser.set_defaults(vicinity = 1,
|
parser.set_defaults(vicinity = 1,
|
||||||
offset = 0,
|
offset = 0,
|
||||||
|
mode = 'wrap',
|
||||||
)
|
)
|
||||||
|
|
||||||
(options, filenames) = parser.parse_args()
|
(options, filenames) = parser.parse_args()
|
||||||
|
|
@ -79,8 +84,8 @@ for name in filenames:
|
||||||
|
|
||||||
if options.offset == 0: options.offset = microstructure.max()
|
if options.offset == 0: options.offset = microstructure.max()
|
||||||
|
|
||||||
microstructure = np.where(ndimage.filters.maximum_filter(microstructure,size=1+2*options.vicinity,mode='wrap') ==
|
microstructure = np.where(ndimage.filters.maximum_filter(microstructure,size=1+2*options.vicinity,mode=options.mode) ==
|
||||||
ndimage.filters.minimum_filter(microstructure,size=1+2*options.vicinity,mode='wrap'),
|
ndimage.filters.minimum_filter(microstructure,size=1+2*options.vicinity,mode=options.mode),
|
||||||
microstructure, microstructure + options.offset)
|
microstructure, microstructure + options.offset)
|
||||||
|
|
||||||
newInfo['microstructures'] = microstructure.max()
|
newInfo['microstructures'] = microstructure.max()
|
||||||
|
|
|
||||||
110
src/CPFEM2.f90
110
src/CPFEM2.f90
|
|
@ -9,7 +9,7 @@ module CPFEM2
|
||||||
private
|
private
|
||||||
|
|
||||||
public :: &
|
public :: &
|
||||||
CPFEM_general, &
|
CPFEM_age, &
|
||||||
CPFEM_initAll
|
CPFEM_initAll
|
||||||
|
|
||||||
contains
|
contains
|
||||||
|
|
@ -127,6 +127,7 @@ subroutine CPFEM_init
|
||||||
write(6,'(/,a)') ' <<<+- CPFEM init -+>>>'
|
write(6,'(/,a)') ' <<<+- CPFEM init -+>>>'
|
||||||
write(6,'(a15,a)') ' Current time: ',IO_timeStamp()
|
write(6,'(a15,a)') ' Current time: ',IO_timeStamp()
|
||||||
#include "compilation_info.f90"
|
#include "compilation_info.f90"
|
||||||
|
flush(6)
|
||||||
endif mainProcess
|
endif mainProcess
|
||||||
|
|
||||||
! *** restore the last converged values of each essential variable from the binary file
|
! *** restore the last converged values of each essential variable from the binary file
|
||||||
|
|
@ -139,36 +140,28 @@ subroutine CPFEM_init
|
||||||
write(rankStr,'(a1,i0)')'_',worldrank
|
write(rankStr,'(a1,i0)')'_',worldrank
|
||||||
|
|
||||||
call IO_read_intFile(777,'recordedPhase'//trim(rankStr),modelName,size(material_phase))
|
call IO_read_intFile(777,'recordedPhase'//trim(rankStr),modelName,size(material_phase))
|
||||||
read (777,rec=1) material_phase
|
read (777,rec=1) material_phase; close (777)
|
||||||
close (777)
|
|
||||||
|
|
||||||
call IO_read_realFile(777,'convergedF'//trim(rankStr),modelName,size(crystallite_F0))
|
call IO_read_realFile(777,'convergedF'//trim(rankStr),modelName,size(crystallite_F0))
|
||||||
read (777,rec=1) crystallite_F0
|
read (777,rec=1) crystallite_F0; close (777)
|
||||||
close (777)
|
|
||||||
|
|
||||||
call IO_read_realFile(777,'convergedFp'//trim(rankStr),modelName,size(crystallite_Fp0))
|
call IO_read_realFile(777,'convergedFp'//trim(rankStr),modelName,size(crystallite_Fp0))
|
||||||
read (777,rec=1) crystallite_Fp0
|
read (777,rec=1) crystallite_Fp0; close (777)
|
||||||
close (777)
|
|
||||||
|
|
||||||
call IO_read_realFile(777,'convergedFi'//trim(rankStr),modelName,size(crystallite_Fi0))
|
call IO_read_realFile(777,'convergedFi'//trim(rankStr),modelName,size(crystallite_Fi0))
|
||||||
read (777,rec=1) crystallite_Fi0
|
read (777,rec=1) crystallite_Fi0; close (777)
|
||||||
close (777)
|
|
||||||
|
|
||||||
call IO_read_realFile(777,'convergedLp'//trim(rankStr),modelName,size(crystallite_Lp0))
|
call IO_read_realFile(777,'convergedLp'//trim(rankStr),modelName,size(crystallite_Lp0))
|
||||||
read (777,rec=1) crystallite_Lp0
|
read (777,rec=1) crystallite_Lp0; close (777)
|
||||||
close (777)
|
|
||||||
|
|
||||||
call IO_read_realFile(777,'convergedLi'//trim(rankStr),modelName,size(crystallite_Li0))
|
call IO_read_realFile(777,'convergedLi'//trim(rankStr),modelName,size(crystallite_Li0))
|
||||||
read (777,rec=1) crystallite_Li0
|
read (777,rec=1) crystallite_Li0; close (777)
|
||||||
close (777)
|
|
||||||
|
|
||||||
call IO_read_realFile(777,'convergeddPdF'//trim(rankStr),modelName,size(crystallite_dPdF0))
|
call IO_read_realFile(777,'convergeddPdF'//trim(rankStr),modelName,size(crystallite_dPdF0))
|
||||||
read (777,rec=1) crystallite_dPdF0
|
read (777,rec=1) crystallite_dPdF0; close (777)
|
||||||
close (777)
|
|
||||||
|
|
||||||
call IO_read_realFile(777,'convergedTstar'//trim(rankStr),modelName,size(crystallite_Tstar0_v))
|
call IO_read_realFile(777,'convergedTstar'//trim(rankStr),modelName,size(crystallite_Tstar0_v))
|
||||||
read (777,rec=1) crystallite_Tstar0_v
|
read (777,rec=1) crystallite_Tstar0_v; close (777)
|
||||||
close (777)
|
|
||||||
|
|
||||||
call IO_read_realFile(777,'convergedStateConst'//trim(rankStr),modelName)
|
call IO_read_realFile(777,'convergedStateConst'//trim(rankStr),modelName)
|
||||||
m = 0_pInt
|
m = 0_pInt
|
||||||
|
|
@ -194,7 +187,6 @@ subroutine CPFEM_init
|
||||||
|
|
||||||
restartRead = .false.
|
restartRead = .false.
|
||||||
endif
|
endif
|
||||||
flush(6)
|
|
||||||
|
|
||||||
end subroutine CPFEM_init
|
end subroutine CPFEM_init
|
||||||
|
|
||||||
|
|
@ -202,7 +194,7 @@ end subroutine CPFEM_init
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
!> @brief perform initialization at first call, update variables and call the actual material model
|
!> @brief perform initialization at first call, update variables and call the actual material model
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
subroutine CPFEM_general(age, dt)
|
subroutine CPFEM_age()
|
||||||
use prec, only: &
|
use prec, only: &
|
||||||
pReal, &
|
pReal, &
|
||||||
pInt
|
pInt
|
||||||
|
|
@ -215,7 +207,6 @@ subroutine CPFEM_general(age, dt)
|
||||||
debug_levelExtensive, &
|
debug_levelExtensive, &
|
||||||
debug_levelSelective
|
debug_levelSelective
|
||||||
use FEsolving, only: &
|
use FEsolving, only: &
|
||||||
terminallyIll, &
|
|
||||||
restartWrite
|
restartWrite
|
||||||
use math, only: &
|
use math, only: &
|
||||||
math_identity2nd, &
|
math_identity2nd, &
|
||||||
|
|
@ -254,85 +245,71 @@ subroutine CPFEM_general(age, dt)
|
||||||
crystallite_dPdF, &
|
crystallite_dPdF, &
|
||||||
crystallite_Tstar0_v, &
|
crystallite_Tstar0_v, &
|
||||||
crystallite_Tstar_v
|
crystallite_Tstar_v
|
||||||
use homogenization, only: &
|
|
||||||
materialpoint_stressAndItsTangent, &
|
|
||||||
materialpoint_postResults
|
|
||||||
use IO, only: &
|
use IO, only: &
|
||||||
IO_write_jobRealFile, &
|
IO_write_jobRealFile, &
|
||||||
IO_warning
|
IO_warning
|
||||||
use DAMASK_interface
|
use DAMASK_interface
|
||||||
|
|
||||||
implicit none
|
implicit none
|
||||||
real(pReal), intent(in) :: dt !< time increment
|
|
||||||
logical, intent(in) :: age !< age results
|
|
||||||
|
|
||||||
integer(pInt) :: i, k, l, m, ph, homog, mySource
|
integer(pInt) :: i, k, l, m, ph, homog, mySource
|
||||||
character(len=1024) :: rankStr
|
character(len=32) :: rankStr
|
||||||
|
|
||||||
!*** age results and write restart data if requested
|
if (iand(debug_level(debug_CPFEM), debug_levelBasic) /= 0_pInt) &
|
||||||
if (age) then
|
|
||||||
crystallite_F0 = crystallite_partionedF ! crystallite deformation (_subF is perturbed...)
|
|
||||||
crystallite_Fp0 = crystallite_Fp ! crystallite plastic deformation
|
|
||||||
crystallite_Lp0 = crystallite_Lp ! crystallite plastic velocity
|
|
||||||
crystallite_Fi0 = crystallite_Fi ! crystallite intermediate deformation
|
|
||||||
crystallite_Li0 = crystallite_Li ! crystallite intermediate velocity
|
|
||||||
crystallite_dPdF0 = crystallite_dPdF ! crystallite stiffness
|
|
||||||
crystallite_Tstar0_v = crystallite_Tstar_v ! crystallite 2nd Piola Kirchhoff stress
|
|
||||||
|
|
||||||
forall ( i = 1:size(plasticState )) plasticState(i)%state0 = plasticState(i)%state ! copy state in this lenghty way because: A component cannot be an array if the encompassing structure is an array
|
|
||||||
do i = 1, size(sourceState)
|
|
||||||
do mySource = 1,phase_Nsources(i)
|
|
||||||
sourceState(i)%p(mySource)%state0 = sourceState(i)%p(mySource)%state ! copy state in this lenghty way because: A component cannot be an array if the encompassing structure is an array
|
|
||||||
enddo; enddo
|
|
||||||
if (iand(debug_level(debug_CPFEM), debug_levelBasic) /= 0_pInt) &
|
|
||||||
write(6,'(a)') '<< CPFEM >> aging states'
|
write(6,'(a)') '<< CPFEM >> aging states'
|
||||||
|
|
||||||
do homog = 1_pInt, material_Nhomogenization
|
crystallite_F0 = crystallite_partionedF ! crystallite deformation (_subF is perturbed...)
|
||||||
|
crystallite_Fp0 = crystallite_Fp ! crystallite plastic deformation
|
||||||
|
crystallite_Lp0 = crystallite_Lp ! crystallite plastic velocity
|
||||||
|
crystallite_Fi0 = crystallite_Fi ! crystallite intermediate deformation
|
||||||
|
crystallite_Li0 = crystallite_Li ! crystallite intermediate velocity
|
||||||
|
crystallite_dPdF0 = crystallite_dPdF ! crystallite stiffness
|
||||||
|
crystallite_Tstar0_v = crystallite_Tstar_v ! crystallite 2nd Piola Kirchhoff stress
|
||||||
|
|
||||||
|
forall (i = 1:size(plasticState)) plasticState(i)%state0 = plasticState(i)%state ! copy state in this lengthy way because: A component cannot be an array if the encompassing structure is an array
|
||||||
|
|
||||||
|
do i = 1, size(sourceState)
|
||||||
|
do mySource = 1,phase_Nsources(i)
|
||||||
|
sourceState(i)%p(mySource)%state0 = sourceState(i)%p(mySource)%state ! copy state in this lengthy way because: A component cannot be an array if the encompassing structure is an array
|
||||||
|
enddo; enddo
|
||||||
|
|
||||||
|
do homog = 1_pInt, material_Nhomogenization
|
||||||
homogState (homog)%state0 = homogState (homog)%state
|
homogState (homog)%state0 = homogState (homog)%state
|
||||||
thermalState (homog)%state0 = thermalState (homog)%state
|
thermalState (homog)%state0 = thermalState (homog)%state
|
||||||
damageState (homog)%state0 = damageState (homog)%state
|
damageState (homog)%state0 = damageState (homog)%state
|
||||||
vacancyfluxState (homog)%state0 = vacancyfluxState (homog)%state
|
vacancyfluxState (homog)%state0 = vacancyfluxState (homog)%state
|
||||||
hydrogenfluxState(homog)%state0 = hydrogenfluxState(homog)%state
|
hydrogenfluxState(homog)%state0 = hydrogenfluxState(homog)%state
|
||||||
enddo
|
enddo
|
||||||
|
|
||||||
|
if (restartWrite) then
|
||||||
if (restartWrite) then
|
|
||||||
if (iand(debug_level(debug_CPFEM), debug_levelBasic) /= 0_pInt) &
|
if (iand(debug_level(debug_CPFEM), debug_levelBasic) /= 0_pInt) &
|
||||||
write(6,'(a)') '<< CPFEM >> writing state variables of last converged step to binary files'
|
write(6,'(a)') '<< CPFEM >> writing state variables of last converged step to binary files'
|
||||||
|
|
||||||
write(rankStr,'(a1,i0)')'_',worldrank
|
write(rankStr,'(a1,i0)')'_',worldrank
|
||||||
|
|
||||||
call IO_write_jobRealFile(777,'recordedPhase'//trim(rankStr),size(material_phase))
|
call IO_write_jobRealFile(777,'recordedPhase'//trim(rankStr),size(material_phase))
|
||||||
write (777,rec=1) material_phase
|
write (777,rec=1) material_phase; close (777)
|
||||||
close (777)
|
|
||||||
|
|
||||||
call IO_write_jobRealFile(777,'convergedF'//trim(rankStr),size(crystallite_F0))
|
call IO_write_jobRealFile(777,'convergedF'//trim(rankStr),size(crystallite_F0))
|
||||||
write (777,rec=1) crystallite_F0
|
write (777,rec=1) crystallite_F0; close (777)
|
||||||
close (777)
|
|
||||||
|
|
||||||
call IO_write_jobRealFile(777,'convergedFp'//trim(rankStr),size(crystallite_Fp0))
|
call IO_write_jobRealFile(777,'convergedFp'//trim(rankStr),size(crystallite_Fp0))
|
||||||
write (777,rec=1) crystallite_Fp0
|
write (777,rec=1) crystallite_Fp0; close (777)
|
||||||
close (777)
|
|
||||||
|
|
||||||
call IO_write_jobRealFile(777,'convergedFi'//trim(rankStr),size(crystallite_Fi0))
|
call IO_write_jobRealFile(777,'convergedFi'//trim(rankStr),size(crystallite_Fi0))
|
||||||
write (777,rec=1) crystallite_Fi0
|
write (777,rec=1) crystallite_Fi0; close (777)
|
||||||
close (777)
|
|
||||||
|
|
||||||
call IO_write_jobRealFile(777,'convergedLp'//trim(rankStr),size(crystallite_Lp0))
|
call IO_write_jobRealFile(777,'convergedLp'//trim(rankStr),size(crystallite_Lp0))
|
||||||
write (777,rec=1) crystallite_Lp0
|
write (777,rec=1) crystallite_Lp0; close (777)
|
||||||
close (777)
|
|
||||||
|
|
||||||
call IO_write_jobRealFile(777,'convergedLi'//trim(rankStr),size(crystallite_Li0))
|
call IO_write_jobRealFile(777,'convergedLi'//trim(rankStr),size(crystallite_Li0))
|
||||||
write (777,rec=1) crystallite_Li0
|
write (777,rec=1) crystallite_Li0; close (777)
|
||||||
close (777)
|
|
||||||
|
|
||||||
call IO_write_jobRealFile(777,'convergeddPdF'//trim(rankStr),size(crystallite_dPdF0))
|
call IO_write_jobRealFile(777,'convergeddPdF'//trim(rankStr),size(crystallite_dPdF0))
|
||||||
write (777,rec=1) crystallite_dPdF0
|
write (777,rec=1) crystallite_dPdF0; close (777)
|
||||||
close (777)
|
|
||||||
|
|
||||||
call IO_write_jobRealFile(777,'convergedTstar'//trim(rankStr),size(crystallite_Tstar0_v))
|
call IO_write_jobRealFile(777,'convergedTstar'//trim(rankStr),size(crystallite_Tstar0_v))
|
||||||
write (777,rec=1) crystallite_Tstar0_v
|
write (777,rec=1) crystallite_Tstar0_v; close (777)
|
||||||
close (777)
|
|
||||||
|
|
||||||
call IO_write_jobRealFile(777,'convergedStateConst'//trim(rankStr))
|
call IO_write_jobRealFile(777,'convergedStateConst'//trim(rankStr))
|
||||||
m = 0_pInt
|
m = 0_pInt
|
||||||
|
|
@ -356,12 +333,11 @@ subroutine CPFEM_general(age, dt)
|
||||||
enddo writeHomogInstances
|
enddo writeHomogInstances
|
||||||
close (777)
|
close (777)
|
||||||
|
|
||||||
endif
|
endif
|
||||||
endif
|
|
||||||
|
|
||||||
if (.not. terminallyIll) &
|
if (iand(debug_level(debug_CPFEM), debug_levelBasic) /= 0_pInt) &
|
||||||
call materialpoint_stressAndItsTangent(.True., dt)
|
write(6,'(a)') '<< CPFEM >> done aging states'
|
||||||
|
|
||||||
end subroutine CPFEM_general
|
end subroutine CPFEM_age
|
||||||
|
|
||||||
end module CPFEM2
|
end module CPFEM2
|
||||||
|
|
|
||||||
|
|
@ -78,8 +78,7 @@ program DAMASK_spectral
|
||||||
FIELD_UNDEFINED_ID, &
|
FIELD_UNDEFINED_ID, &
|
||||||
FIELD_MECH_ID, &
|
FIELD_MECH_ID, &
|
||||||
FIELD_THERMAL_ID, &
|
FIELD_THERMAL_ID, &
|
||||||
FIELD_DAMAGE_ID, &
|
FIELD_DAMAGE_ID
|
||||||
utilities_calcPlasticity
|
|
||||||
use spectral_mech_Basic
|
use spectral_mech_Basic
|
||||||
use spectral_mech_AL
|
use spectral_mech_AL
|
||||||
use spectral_mech_Polarisation
|
use spectral_mech_Polarisation
|
||||||
|
|
@ -157,19 +156,6 @@ program DAMASK_spectral
|
||||||
MPI_finalize, &
|
MPI_finalize, &
|
||||||
MPI_allreduce, &
|
MPI_allreduce, &
|
||||||
PETScFinalize
|
PETScFinalize
|
||||||
!--------------------------------------------------------------------------------------------------
|
|
||||||
! variables related to stop criterion for yielding
|
|
||||||
real(pReal) :: plasticWorkOld, plasticWorkNew, & ! plastic work
|
|
||||||
eqTotalStrainOld, eqTotalStrainNew, & ! total equivalent strain
|
|
||||||
eqPlasticStrainOld, eqPlasticStrainNew, & ! total equivalent plastic strain
|
|
||||||
eqStressOld, eqStressNew , & ! equivalent stress
|
|
||||||
yieldStopValue
|
|
||||||
real(pReal), dimension(3,3) :: yieldStress,yieldStressOld,yieldStressNew, &
|
|
||||||
plasticStrainOld, plasticStrainNew, plasticStrainRate
|
|
||||||
integer(pInt) :: yieldResUnit = 0_pInt
|
|
||||||
integer(pInt) :: stressstrainUnit = 0_pInt
|
|
||||||
character(len=13) :: stopFlag
|
|
||||||
logical :: yieldStop, yieldStopSatisfied
|
|
||||||
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
! init DAMASK (all modules)
|
! init DAMASK (all modules)
|
||||||
|
|
@ -227,8 +213,6 @@ program DAMASK_spectral
|
||||||
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
! reading the load case and assign values to the allocated data structure
|
! reading the load case and assign values to the allocated data structure
|
||||||
yieldStop = .False.
|
|
||||||
yieldStopSatisfied = .False.
|
|
||||||
rewind(FILEUNIT)
|
rewind(FILEUNIT)
|
||||||
do
|
do
|
||||||
line = IO_read(FILEUNIT)
|
line = IO_read(FILEUNIT)
|
||||||
|
|
@ -303,30 +287,10 @@ program DAMASK_spectral
|
||||||
temp_valueVector(j) = IO_floatValue(line,chunkPos,i+j)
|
temp_valueVector(j) = IO_floatValue(line,chunkPos,i+j)
|
||||||
enddo
|
enddo
|
||||||
loadCases(currentLoadCase)%rotation = math_plain9to33(temp_valueVector)
|
loadCases(currentLoadCase)%rotation = math_plain9to33(temp_valueVector)
|
||||||
case('totalstrain')
|
|
||||||
yieldStop = .True.
|
|
||||||
stopFlag = 'totalStrain'
|
|
||||||
yieldStopValue = IO_floatValue(line,chunkPos,i+1_pInt)
|
|
||||||
case('plasticstrain')
|
|
||||||
yieldStop = .True.
|
|
||||||
stopFlag = 'plasticStrain'
|
|
||||||
yieldStopValue = IO_floatValue(line,chunkPos,i+1_pInt)
|
|
||||||
case('plasticwork')
|
|
||||||
yieldStop = .True.
|
|
||||||
stopFlag = 'plasticWork'
|
|
||||||
yieldStopValue = IO_floatValue(line,chunkPos,i+1_pInt)
|
|
||||||
end select
|
end select
|
||||||
enddo; enddo
|
enddo; enddo
|
||||||
close(FILEUNIT)
|
close(FILEUNIT)
|
||||||
|
|
||||||
if(yieldStop) then ! initialize variables related to yield stop
|
|
||||||
yieldStressNew = 0.0_pReal
|
|
||||||
plasticStrainNew = 0.0_pReal
|
|
||||||
eqStressNew = 0.0_pReal
|
|
||||||
eqTotalStrainNew = 0.0_pReal
|
|
||||||
eqPlasticStrainNew = 0.0_pReal
|
|
||||||
plasticWorkNew = 0.0_pReal
|
|
||||||
endif
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
! consistency checks and output of load case
|
! consistency checks and output of load case
|
||||||
loadCases(1)%followFormerTrajectory = .false. ! cannot guess along trajectory for first inc of first currentLoadCase
|
loadCases(1)%followFormerTrajectory = .false. ! cannot guess along trajectory for first inc of first currentLoadCase
|
||||||
|
|
@ -443,7 +407,7 @@ program DAMASK_spectral
|
||||||
write(resUnit) 'times:', loadCases%time ! one entry per LoadCase
|
write(resUnit) 'times:', loadCases%time ! one entry per LoadCase
|
||||||
write(resUnit) 'logscales:', loadCases%logscale
|
write(resUnit) 'logscales:', loadCases%logscale
|
||||||
write(resUnit) 'increments:', loadCases%incs ! one entry per LoadCase
|
write(resUnit) 'increments:', loadCases%incs ! one entry per LoadCase
|
||||||
write(resUnit) 'startingIncrement:', restartInc - 1_pInt ! start with writing out the previous inc
|
write(resUnit) 'startingIncrement:', restartInc ! start with writing out the previous inc
|
||||||
write(resUnit) 'eoh'
|
write(resUnit) 'eoh'
|
||||||
close(resUnit) ! end of header
|
close(resUnit) ! end of header
|
||||||
open(newunit=statUnit,file=trim(getSolverWorkingDirectoryName())//trim(getSolverJobName())//&
|
open(newunit=statUnit,file=trim(getSolverWorkingDirectoryName())//trim(getSolverJobName())//&
|
||||||
|
|
@ -478,8 +442,9 @@ program DAMASK_spectral
|
||||||
if (ierr /= 0_pInt) call IO_error(error_ID=894_pInt, ext_msg='MPI_file_seek')
|
if (ierr /= 0_pInt) call IO_error(error_ID=894_pInt, ext_msg='MPI_file_seek')
|
||||||
|
|
||||||
if (.not. appendToOutFile) then ! if not restarting, write 0th increment
|
if (.not. appendToOutFile) then ! if not restarting, write 0th increment
|
||||||
|
write(6,'(1/,a)') ' ... writing initial configuration to file ........................'
|
||||||
do i = 1, size(materialpoint_results,3)/(maxByteOut/(materialpoint_sizeResults*pReal))+1 ! slice the output of my process in chunks not exceeding the limit for one output
|
do i = 1, size(materialpoint_results,3)/(maxByteOut/(materialpoint_sizeResults*pReal))+1 ! slice the output of my process in chunks not exceeding the limit for one output
|
||||||
outputIndex = int([(i-1_pInt)*((maxRealOut)/materialpoint_sizeResults)+1_pInt, &
|
outputIndex = int([(i-1_pInt)*((maxRealOut)/materialpoint_sizeResults)+1_pInt, & ! QUESTION: why not starting i at 0 instead of murky 1?
|
||||||
min(i*((maxRealOut)/materialpoint_sizeResults),size(materialpoint_results,3))],pLongInt)
|
min(i*((maxRealOut)/materialpoint_sizeResults),size(materialpoint_results,3))],pLongInt)
|
||||||
call MPI_file_write(resUnit, &
|
call MPI_file_write(resUnit, &
|
||||||
reshape(materialpoint_results(:,:,outputIndex(1):outputIndex(2)), &
|
reshape(materialpoint_results(:,:,outputIndex(1):outputIndex(2)), &
|
||||||
|
|
@ -489,24 +454,23 @@ program DAMASK_spectral
|
||||||
if (ierr /= 0_pInt) call IO_error(error_ID=894_pInt, ext_msg='MPI_file_write')
|
if (ierr /= 0_pInt) call IO_error(error_ID=894_pInt, ext_msg='MPI_file_write')
|
||||||
enddo
|
enddo
|
||||||
fileOffset = fileOffset + sum(outputSize) ! forward to current file position
|
fileOffset = fileOffset + sum(outputSize) ! forward to current file position
|
||||||
write(6,'(1/,a)') ' ... writing initial configuration to file ........................'
|
|
||||||
endif
|
endif
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
! loopping over loadcases
|
! looping over loadcases
|
||||||
loadCaseLooping: do currentLoadCase = 1_pInt, size(loadCases)
|
loadCaseLooping: do currentLoadCase = 1_pInt, size(loadCases)
|
||||||
time0 = time ! currentLoadCase start time
|
time0 = time ! currentLoadCase start time
|
||||||
guess = loadCases(currentLoadCase)%followFormerTrajectory ! change of load case? homogeneous guess for the first inc
|
guess = loadCases(currentLoadCase)%followFormerTrajectory ! change of load case? homogeneous guess for the first inc
|
||||||
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
! loop oper incs defined in input file for current currentLoadCase
|
! loop over incs defined in input file for current currentLoadCase
|
||||||
incLooping: do inc = 1_pInt, loadCases(currentLoadCase)%incs
|
incLooping: do inc = 1_pInt, loadCases(currentLoadCase)%incs
|
||||||
totalIncsCounter = totalIncsCounter + 1_pInt
|
totalIncsCounter = totalIncsCounter + 1_pInt
|
||||||
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
! forwarding time
|
! forwarding time
|
||||||
timeIncOld = timeinc
|
timeIncOld = timeinc ! last timeinc that brought former inc to an end
|
||||||
if (loadCases(currentLoadCase)%logscale == 0_pInt) then ! linear scale
|
if (loadCases(currentLoadCase)%logscale == 0_pInt) then ! linear scale
|
||||||
timeinc = loadCases(currentLoadCase)%time/real(loadCases(currentLoadCase)%incs,pReal) ! only valid for given linear time scale. will be overwritten later in case loglinear scale is used
|
timeinc = loadCases(currentLoadCase)%time/real(loadCases(currentLoadCase)%incs,pReal)
|
||||||
else
|
else
|
||||||
if (currentLoadCase == 1_pInt) then ! 1st currentLoadCase of logarithmic scale
|
if (currentLoadCase == 1_pInt) then ! 1st currentLoadCase of logarithmic scale
|
||||||
if (inc == 1_pInt) then ! 1st inc of 1st currentLoadCase of logarithmic scale
|
if (inc == 1_pInt) then ! 1st inc of 1st currentLoadCase of logarithmic scale
|
||||||
|
|
@ -516,40 +480,46 @@ program DAMASK_spectral
|
||||||
endif
|
endif
|
||||||
else ! not-1st currentLoadCase of logarithmic scale
|
else ! not-1st currentLoadCase of logarithmic scale
|
||||||
timeinc = time0 * &
|
timeinc = time0 * &
|
||||||
( (1.0_pReal + loadCases(currentLoadCase)%time/time0 )**(real( inc,pReal)/&
|
( (1.0_pReal + loadCases(currentLoadCase)%time/time0 )**(real( inc ,pReal)/&
|
||||||
real(loadCases(currentLoadCase)%incs ,pReal))&
|
real(loadCases(currentLoadCase)%incs ,pReal))&
|
||||||
-(1.0_pReal + loadCases(currentLoadCase)%time/time0 )**(real( (inc-1_pInt),pReal)/&
|
-(1.0_pReal + loadCases(currentLoadCase)%time/time0 )**(real( inc-1_pInt ,pReal)/&
|
||||||
real(loadCases(currentLoadCase)%incs ,pReal)))
|
real(loadCases(currentLoadCase)%incs ,pReal)))
|
||||||
endif
|
endif
|
||||||
endif
|
endif
|
||||||
timeinc = timeinc / 2.0_pReal**real(cutBackLevel,pReal) ! depending on cut back level, decrease time step
|
timeinc = timeinc * real(subStepFactor,pReal)**real(-cutBackLevel,pReal) ! depending on cut back level, decrease time step
|
||||||
|
|
||||||
forwarding: if (totalIncsCounter >= restartInc) then
|
skipping: if (totalIncsCounter <= restartInc) then ! not yet at restart inc?
|
||||||
stepFraction = 0_pInt
|
time = time + timeinc ! just advance time, skip already performed calculation
|
||||||
|
guess = .true. ! QUESTION:why forced guessing instead of inheriting loadcase preference
|
||||||
|
else skipping
|
||||||
|
stepFraction = 0_pInt ! fraction scaled by stepFactor**cutLevel
|
||||||
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
! loop over sub incs
|
! loop over sub step
|
||||||
subIncLooping: do while (stepFraction/subStepFactor**cutBackLevel <1_pInt)
|
subStepLooping: do while (stepFraction < subStepFactor**cutBackLevel)
|
||||||
time = time + timeinc ! forward time
|
remainingLoadCaseTime = loadCases(currentLoadCase)%time+time0 - time
|
||||||
stepFraction = stepFraction + 1_pInt
|
time = time + timeinc ! forward target time
|
||||||
remainingLoadCaseTime = time0 - time + loadCases(currentLoadCase)%time + timeInc
|
stepFraction = stepFraction + 1_pInt ! count step
|
||||||
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
! report begin of new increment
|
! report begin of new step
|
||||||
write(6,'(/,a)') ' ###########################################################################'
|
write(6,'(/,a)') ' ###########################################################################'
|
||||||
write(6,'(1x,a,es12.5'//&
|
write(6,'(1x,a,es12.5'//&
|
||||||
',a,'//IO_intOut(inc)//',a,'//IO_intOut(loadCases(currentLoadCase)%incs)//&
|
',a,'//IO_intOut(inc) //',a,'//IO_intOut(loadCases(currentLoadCase)%incs)//&
|
||||||
',a,'//IO_intOut(stepFraction)//',a,'//IO_intOut(subStepFactor**cutBackLevel)//&
|
',a,'//IO_intOut(stepFraction) //',a,'//IO_intOut(subStepFactor**cutBackLevel)//&
|
||||||
',a,'//IO_intOut(currentLoadCase)//',a,'//IO_intOut(size(loadCases))//')') &
|
',a,'//IO_intOut(currentLoadCase)//',a,'//IO_intOut(size(loadCases))//')') &
|
||||||
'Time', time, &
|
'Time', time, &
|
||||||
's: Increment ', inc, '/', loadCases(currentLoadCase)%incs,&
|
's: Increment ', inc,'/',loadCases(currentLoadCase)%incs,&
|
||||||
'-', stepFraction, '/', subStepFactor**cutBackLevel,&
|
'-', stepFraction,'/',subStepFactor**cutBackLevel,&
|
||||||
' of load case ', currentLoadCase,'/',size(loadCases)
|
' of load case ', currentLoadCase,'/',size(loadCases)
|
||||||
flush(6)
|
write(incInfo,&
|
||||||
write(incInfo,'(a,'//IO_intOut(totalIncsCounter)//',a,'//IO_intOut(sum(loadCases%incs))//&
|
'(a,'//IO_intOut(totalIncsCounter)//&
|
||||||
',a,'//IO_intOut(stepFraction)//',a,'//IO_intOut(subStepFactor**cutBackLevel)//')') &
|
',a,'//IO_intOut(sum(loadCases%incs))//&
|
||||||
|
',a,'//IO_intOut(stepFraction)//&
|
||||||
|
',a,'//IO_intOut(subStepFactor**cutBackLevel)//')') &
|
||||||
'Increment ',totalIncsCounter,'/',sum(loadCases%incs),&
|
'Increment ',totalIncsCounter,'/',sum(loadCases%incs),&
|
||||||
'-',stepFraction, '/', subStepFactor**cutBackLevel
|
'-', stepFraction,'/',subStepFactor**cutBackLevel
|
||||||
|
flush(6)
|
||||||
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
! forward fields
|
! forward fields
|
||||||
|
|
@ -618,65 +588,63 @@ program DAMASK_spectral
|
||||||
solres(field) = spectral_damage_solution(timeinc,timeIncOld,remainingLoadCaseTime)
|
solres(field) = spectral_damage_solution(timeinc,timeIncOld,remainingLoadCaseTime)
|
||||||
|
|
||||||
end select
|
end select
|
||||||
|
|
||||||
if (.not. solres(field)%converged) exit ! no solution found
|
if (.not. solres(field)%converged) exit ! no solution found
|
||||||
|
|
||||||
enddo
|
enddo
|
||||||
stagIter = stagIter + 1_pInt
|
stagIter = stagIter + 1_pInt
|
||||||
stagIterate = stagIter < stagItMax .and. &
|
stagIterate = stagIter < stagItMax &
|
||||||
all(solres(:)%converged) .and. &
|
.and. all(solres(:)%converged) &
|
||||||
.not. all(solres(:)%stagConverged)
|
.and. .not. all(solres(:)%stagConverged) ! stationary with respect to staggered iteration
|
||||||
enddo
|
enddo
|
||||||
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
! check solution
|
! check solution for either advance or retry
|
||||||
cutBack = .False.
|
|
||||||
if(solres(1)%termIll .or. .not. all(solres(:)%converged .and. solres(:)%stagConverged)) then ! no solution found
|
if ( (continueCalculation .or. all(solres(:)%converged .and. solres(:)%stagConverged)) & ! don't care or did converge
|
||||||
if (cutBackLevel < maxCutBack) then ! do cut back
|
.and. .not. solres(1)%termIll) then ! and acceptable solution found
|
||||||
write(6,'(/,a)') ' cut back detected'
|
timeIncOld = timeinc
|
||||||
cutBack = .True.
|
cutBack = .false.
|
||||||
|
guess = .true. ! start guessing after first converged (sub)inc
|
||||||
|
if (worldrank == 0) then
|
||||||
|
write(statUnit,*) totalIncsCounter, time, cutBackLevel, &
|
||||||
|
solres%converged, solres%iterationsNeeded
|
||||||
|
flush(statUnit)
|
||||||
|
endif
|
||||||
|
elseif (cutBackLevel < maxCutBack) then ! further cutbacking tolerated?
|
||||||
|
cutBack = .true.
|
||||||
stepFraction = (stepFraction - 1_pInt) * subStepFactor ! adjust to new denominator
|
stepFraction = (stepFraction - 1_pInt) * subStepFactor ! adjust to new denominator
|
||||||
cutBackLevel = cutBackLevel + 1_pInt
|
cutBackLevel = cutBackLevel + 1_pInt
|
||||||
time = time - timeinc ! rewind time
|
time = time - timeinc ! rewind time
|
||||||
timeinc = timeinc/2.0_pReal
|
timeinc = timeinc/real(subStepFactor,pReal) ! cut timestep
|
||||||
elseif (solres(1)%termIll) then ! material point model cannot find a solution, exit in any casy
|
write(6,'(/,a)') ' cutting back '
|
||||||
call IO_warning(850_pInt)
|
else ! no more options to continue
|
||||||
call MPI_file_close(resUnit,ierr)
|
|
||||||
close(statUnit)
|
|
||||||
call quit(-1_pInt*(lastRestartWritten+1_pInt)) ! quit and provide information about last restart inc written
|
|
||||||
elseif (continueCalculation == 1_pInt) then
|
|
||||||
guess = .true. ! accept non converged BVP solution
|
|
||||||
else ! default behavior, exit if spectral solver does not converge
|
|
||||||
call IO_warning(850_pInt)
|
call IO_warning(850_pInt)
|
||||||
call MPI_file_close(resUnit,ierr)
|
call MPI_file_close(resUnit,ierr)
|
||||||
close(statUnit)
|
close(statUnit)
|
||||||
call quit(-1_pInt*(lastRestartWritten+1_pInt)) ! quit and provide information about last restart inc written
|
call quit(-1_pInt*(lastRestartWritten+1_pInt)) ! quit and provide information about last restart inc written
|
||||||
endif
|
endif
|
||||||
else
|
|
||||||
guess = .true. ! start guessing after first converged (sub)inc
|
enddo subStepLooping
|
||||||
endif
|
|
||||||
if (.not. cutBack) then
|
|
||||||
if (worldrank == 0) then
|
|
||||||
write(statUnit,*) totalIncsCounter, time, cutBackLevel, &
|
|
||||||
solres%converged, solres%iterationsNeeded ! write statistics about accepted solution
|
|
||||||
flush(statUnit)
|
|
||||||
endif
|
|
||||||
endif
|
|
||||||
enddo subIncLooping
|
|
||||||
cutBackLevel = max(0_pInt, cutBackLevel - 1_pInt) ! try half number of subincs next inc
|
cutBackLevel = max(0_pInt, cutBackLevel - 1_pInt) ! try half number of subincs next inc
|
||||||
if(all(solres(:)%converged)) then ! report converged inc
|
|
||||||
|
if (all(solres(:)%converged)) then
|
||||||
convergedCounter = convergedCounter + 1_pInt
|
convergedCounter = convergedCounter + 1_pInt
|
||||||
write(6,'(/,a,'//IO_intOut(totalIncsCounter)//',a)') &
|
write(6,'(/,a,'//IO_intOut(totalIncsCounter)//',a)') & ! report converged inc
|
||||||
' increment ', totalIncsCounter, ' converged'
|
' increment ', totalIncsCounter, ' converged'
|
||||||
else
|
else
|
||||||
|
notConvergedCounter = notConvergedCounter + 1_pInt
|
||||||
write(6,'(/,a,'//IO_intOut(totalIncsCounter)//',a)') & ! report non-converged inc
|
write(6,'(/,a,'//IO_intOut(totalIncsCounter)//',a)') & ! report non-converged inc
|
||||||
' increment ', totalIncsCounter, ' NOT converged'
|
' increment ', totalIncsCounter, ' NOT converged'
|
||||||
notConvergedCounter = notConvergedCounter + 1_pInt
|
|
||||||
endif; flush(6)
|
endif; flush(6)
|
||||||
|
|
||||||
if (mod(inc,loadCases(currentLoadCase)%outputFrequency) == 0_pInt) then ! at output frequency
|
if (mod(inc,loadCases(currentLoadCase)%outputFrequency) == 0_pInt) then ! at output frequency
|
||||||
if (worldrank == 0) &
|
|
||||||
write(6,'(1/,a)') ' ... writing results to file ......................................'
|
write(6,'(1/,a)') ' ... writing results to file ......................................'
|
||||||
|
flush(6)
|
||||||
call materialpoint_postResults()
|
call materialpoint_postResults()
|
||||||
call MPI_file_seek (resUnit,fileOffset,MPI_SEEK_SET,ierr)
|
call MPI_file_seek (resUnit,fileOffset,MPI_SEEK_SET,ierr)
|
||||||
if(ierr /=0_pInt) call IO_error(894_pInt, ext_msg='MPI_file_seek')
|
if (ierr /= 0_pInt) call IO_error(894_pInt, ext_msg='MPI_file_seek')
|
||||||
do i=1, size(materialpoint_results,3)/(maxByteOut/(materialpoint_sizeResults*pReal))+1 ! slice the output of my process in chunks not exceeding the limit for one output
|
do i=1, size(materialpoint_results,3)/(maxByteOut/(materialpoint_sizeResults*pReal))+1 ! slice the output of my process in chunks not exceeding the limit for one output
|
||||||
outputIndex=int([(i-1_pInt)*((maxRealOut)/materialpoint_sizeResults)+1_pInt, &
|
outputIndex=int([(i-1_pInt)*((maxRealOut)/materialpoint_sizeResults)+1_pInt, &
|
||||||
min(i*((maxRealOut)/materialpoint_sizeResults),size(materialpoint_results,3))],pLongInt)
|
min(i*((maxRealOut)/materialpoint_sizeResults),size(materialpoint_results,3))],pLongInt)
|
||||||
|
|
@ -688,93 +656,29 @@ program DAMASK_spectral
|
||||||
enddo
|
enddo
|
||||||
fileOffset = fileOffset + sum(outputSize) ! forward to current file position
|
fileOffset = fileOffset + sum(outputSize) ! forward to current file position
|
||||||
endif
|
endif
|
||||||
if( loadCases(currentLoadCase)%restartFrequency > 0_pInt .and. & ! at frequency of writing restart information set restart parameter for FEsolving
|
if ( loadCases(currentLoadCase)%restartFrequency > 0_pInt & ! writing of restart info requested ...
|
||||||
mod(inc,loadCases(currentLoadCase)%restartFrequency) == 0_pInt) then ! first call to CPFEM_general will write?
|
.and. mod(inc,loadCases(currentLoadCase)%restartFrequency) == 0_pInt) then ! ... and at frequency of writing restart information
|
||||||
restartWrite = .true.
|
restartWrite = .true. ! set restart parameter for FEsolving
|
||||||
lastRestartWritten = inc
|
lastRestartWritten = inc ! QUESTION: first call to CPFEM_general will write?
|
||||||
endif
|
|
||||||
else forwarding
|
|
||||||
time = time + timeinc
|
|
||||||
guess = .true.
|
|
||||||
endif forwarding
|
|
||||||
|
|
||||||
yieldCheck: if(yieldStop) then ! check if it yields or satisfies the certain stop condition
|
|
||||||
yieldStressOld = yieldStressNew
|
|
||||||
plasticStrainOld = plasticStrainNew
|
|
||||||
eqStressOld = eqStressNew
|
|
||||||
eqTotalStrainOld = eqTotalStrainNew
|
|
||||||
eqPlasticStrainOld = eqPlasticStrainNew
|
|
||||||
plasticWorkOld = plasticWorkNew
|
|
||||||
|
|
||||||
call utilities_calcPlasticity(yieldStressNew, plasticStrainNew, eqStressNew, eqTotalStrainNew, &
|
|
||||||
eqPlasticStrainNew, plasticWorkNew, loadCases(currentLoadCase)%rotation)
|
|
||||||
|
|
||||||
if (worldrank == 0) then ! output the stress-strain curve to file if yield stop criterion is used
|
|
||||||
if ((currentLoadCase == 1_pInt) .and. (inc == 1_pInt)) then
|
|
||||||
open(newunit=stressstrainUnit,file=trim(getSolverWorkingDirectoryName())//trim(getSolverJobName())//&
|
|
||||||
'.stressstrain',form='FORMATTED',status='REPLACE')
|
|
||||||
write(stressstrainUnit,*) 0.0_pReal, 0.0_pReal
|
|
||||||
write(stressstrainUnit,*) eqTotalStrainNew, eqStressNew
|
|
||||||
close(stressstrainUnit)
|
|
||||||
else
|
|
||||||
open(newunit=stressstrainUnit,file=trim(getSolverWorkingDirectoryName())//trim(getSolverJobName())//&
|
|
||||||
'.stressstrain',form='FORMATTED', position='APPEND', status='OLD')
|
|
||||||
write(stressstrainUnit,*) eqTotalStrainNew, eqStressNew
|
|
||||||
close(stressstrainUnit)
|
|
||||||
endif
|
|
||||||
endif
|
endif
|
||||||
|
|
||||||
if(stopFlag == 'totalStrain') then
|
endif skipping
|
||||||
if(eqTotalStrainNew > yieldStopValue) then
|
|
||||||
yieldStress = yieldStressOld * (eqTotalStrainNew - yieldStopValue)/(eqTotalStrainNew - eqTotalStrainOld) & ! linear interpolation of stress values
|
|
||||||
+ yieldStressNew * (yieldStopValue - eqTotalStrainOld)/(eqTotalStrainNew - eqTotalStrainOld)
|
|
||||||
plasticStrainRate = (plasticStrainNew - plasticStrainOld)/(time - time0) ! calculate plastic strain rate
|
|
||||||
yieldStopSatisfied = .True.
|
|
||||||
endif
|
|
||||||
elseif(stopFlag == 'plasticStrain') then
|
|
||||||
if(eqPlasticStrainNew > yieldStopValue) then
|
|
||||||
yieldStress = yieldStressOld * (eqPlasticStrainNew - yieldStopValue)/(eqPlasticStrainNew - eqPlasticStrainOld) &
|
|
||||||
+ yieldStressNew * (yieldStopValue - eqPlasticStrainOld)/(eqPlasticStrainNew - eqPlasticStrainOld)
|
|
||||||
plasticStrainRate = (plasticStrainNew - plasticStrainOld)/(time - time0)
|
|
||||||
yieldStopSatisfied = .True.
|
|
||||||
endif
|
|
||||||
elseif(stopFlag == 'plasticWork') then
|
|
||||||
if(plasticWorkNew > yieldStopValue) then
|
|
||||||
yieldStress = yieldStressOld * (plasticWorkNew - yieldStopValue)/(plasticWorkNew - plasticWorkOld) &
|
|
||||||
+ yieldStressNew * (yieldStopValue - plasticWorkOld)/(plasticWorkNew - plasticWorkOld)
|
|
||||||
plasticStrainRate = (plasticStrainNew - plasticStrainOld)/(time - time0)
|
|
||||||
yieldStopSatisfied = .True.
|
|
||||||
endif
|
|
||||||
endif
|
|
||||||
endif yieldCheck
|
|
||||||
|
|
||||||
if (yieldStopSatisfied) then ! when yield, write the yield stress and strain rate to file and quit the job
|
|
||||||
if (worldrank == 0) then
|
|
||||||
open(newunit=yieldResUnit,file=trim(getSolverWorkingDirectoryName())//trim(getSolverJobName())//&
|
|
||||||
'.yield',form='FORMATTED',status='REPLACE')
|
|
||||||
do i = 1_pInt,3_pInt
|
|
||||||
write(yieldResUnit,*) (yieldStress(i,j), j=1,3)
|
|
||||||
enddo
|
|
||||||
do i = 1_pInt,3_pInt
|
|
||||||
write(yieldResUnit,*) (plasticStrainRate(i,j), j=1,3)
|
|
||||||
enddo
|
|
||||||
close(yieldResUnit)
|
|
||||||
call quit(0_pInt)
|
|
||||||
endif
|
|
||||||
endif
|
|
||||||
|
|
||||||
enddo incLooping
|
enddo incLooping
|
||||||
|
|
||||||
enddo loadCaseLooping
|
enddo loadCaseLooping
|
||||||
|
|
||||||
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
! report summary of whole calculation
|
! report summary of whole calculation
|
||||||
write(6,'(/,a)') ' ###########################################################################'
|
write(6,'(/,a)') ' ###########################################################################'
|
||||||
write(6,'(1x,i6.6,a,i6.6,a,f5.1,a)') convergedCounter, ' out of ', &
|
write(6,'(1x,'//IO_intOut(convergedCounter)//',a,'//IO_intOut(notConvergedCounter + convergedCounter)//',a,f5.1,a)') &
|
||||||
|
convergedCounter, ' out of ', &
|
||||||
notConvergedCounter + convergedCounter, ' (', &
|
notConvergedCounter + convergedCounter, ' (', &
|
||||||
real(convergedCounter, pReal)/&
|
real(convergedCounter, pReal)/&
|
||||||
real(notConvergedCounter + convergedCounter,pReal)*100.0_pReal, &
|
real(notConvergedCounter + convergedCounter,pReal)*100.0_pReal, &
|
||||||
' %) increments converged!'
|
' %) increments converged!'
|
||||||
|
flush(6)
|
||||||
call MPI_file_close(resUnit,ierr)
|
call MPI_file_close(resUnit,ierr)
|
||||||
close(statUnit)
|
close(statUnit)
|
||||||
|
|
||||||
|
|
@ -831,8 +735,6 @@ subroutine quit(stop_id)
|
||||||
call PETScFinalize(ierr)
|
call PETScFinalize(ierr)
|
||||||
if (ierr /= 0) write(6,'(a)') ' Error in PETScFinalize'
|
if (ierr /= 0) write(6,'(a)') ' Error in PETScFinalize'
|
||||||
#ifdef _OPENMP
|
#ifdef _OPENMP
|
||||||
! If openMP is enabled, MPI is initialized before and independently of PETSc. Hence, also
|
|
||||||
! take care of the finalization
|
|
||||||
call MPI_finalize(error)
|
call MPI_finalize(error)
|
||||||
if (error /= 0) write(6,'(a)') ' Error in MPI_finalize'
|
if (error /= 0) write(6,'(a)') ' Error in MPI_finalize'
|
||||||
#endif
|
#endif
|
||||||
|
|
|
||||||
|
|
@ -79,20 +79,22 @@ subroutine FE_init
|
||||||
#include "compilation_info.f90"
|
#include "compilation_info.f90"
|
||||||
|
|
||||||
modelName = getSolverJobName()
|
modelName = getSolverJobName()
|
||||||
|
|
||||||
|
#if defined(Spectral) || defined(FEM)
|
||||||
|
|
||||||
#ifdef Spectral
|
#ifdef Spectral
|
||||||
restartInc = spectralRestartInc
|
restartInc = spectralRestartInc
|
||||||
if(restartInc <= 0_pInt) then
|
#endif
|
||||||
call IO_warning(warning_ID=34_pInt)
|
#ifdef FEM
|
||||||
restartInc = 1_pInt
|
|
||||||
endif
|
|
||||||
restartRead = restartInc > 1_pInt ! only read in if "true" restart requested
|
|
||||||
#elif defined FEM
|
|
||||||
restartInc = FEMRestartInc
|
restartInc = FEMRestartInc
|
||||||
if(restartInc <= 0_pInt) then
|
#endif
|
||||||
|
|
||||||
|
if(restartInc < 0_pInt) then
|
||||||
call IO_warning(warning_ID=34_pInt)
|
call IO_warning(warning_ID=34_pInt)
|
||||||
restartInc = 1_pInt
|
restartInc = 0_pInt
|
||||||
endif
|
endif
|
||||||
restartRead = restartInc > 1_pInt
|
restartRead = restartInc > 0_pInt ! only read in if "true" restart requested
|
||||||
|
|
||||||
#else
|
#else
|
||||||
call IO_open_inputFile(FILEUNIT,modelName)
|
call IO_open_inputFile(FILEUNIT,modelName)
|
||||||
rewind(FILEUNIT)
|
rewind(FILEUNIT)
|
||||||
|
|
@ -131,19 +133,19 @@ subroutine FE_init
|
||||||
do
|
do
|
||||||
read (FILEUNIT,'(a1024)',END=200) line
|
read (FILEUNIT,'(a1024)',END=200) line
|
||||||
chunkPos = IO_stringPos(line)
|
chunkPos = IO_stringPos(line)
|
||||||
if ( IO_lc(IO_stringValue(line,chunkPos,1_pInt)) == 'restart' .and. &
|
if ( IO_lc(IO_stringValue(line,chunkPos,1_pInt)) == 'restart' &
|
||||||
IO_lc(IO_stringValue(line,chunkPos,2_pInt)) == 'file' .and. &
|
.and. IO_lc(IO_stringValue(line,chunkPos,2_pInt)) == 'file' &
|
||||||
IO_lc(IO_stringValue(line,chunkPos,3_pInt)) == 'job' .and. &
|
.and. IO_lc(IO_stringValue(line,chunkPos,3_pInt)) == 'job' &
|
||||||
IO_lc(IO_stringValue(line,chunkPos,4_pInt)) == 'id' ) &
|
.and. IO_lc(IO_stringValue(line,chunkPos,4_pInt)) == 'id' ) &
|
||||||
modelName = IO_StringValue(line,chunkPos,6_pInt)
|
modelName = IO_StringValue(line,chunkPos,6_pInt)
|
||||||
enddo
|
enddo
|
||||||
#else
|
#else ! QUESTION: is this meaningful for the spectral/FEM case?
|
||||||
call IO_open_inputFile(FILEUNIT,modelName)
|
call IO_open_inputFile(FILEUNIT,modelName)
|
||||||
rewind(FILEUNIT)
|
rewind(FILEUNIT)
|
||||||
do
|
do
|
||||||
read (FILEUNIT,'(a1024)',END=200) line
|
read (FILEUNIT,'(a1024)',END=200) line
|
||||||
chunkPos = IO_stringPos(line)
|
chunkPos = IO_stringPos(line)
|
||||||
if ( IO_lc(IO_stringValue(line,chunkPos,1_pInt))=='*heading') then
|
if (IO_lc(IO_stringValue(line,chunkPos,1_pInt))=='*heading') then
|
||||||
read (FILEUNIT,'(a1024)',END=200) line
|
read (FILEUNIT,'(a1024)',END=200) line
|
||||||
chunkPos = IO_stringPos(line)
|
chunkPos = IO_stringPos(line)
|
||||||
modelName = IO_StringValue(line,chunkPos,1_pInt)
|
modelName = IO_StringValue(line,chunkPos,1_pInt)
|
||||||
|
|
|
||||||
|
|
@ -1268,11 +1268,11 @@ integer(pInt) function IO_countNumericalDataLines(fileUnit)
|
||||||
line = IO_read(fileUnit)
|
line = IO_read(fileUnit)
|
||||||
chunkPos = IO_stringPos(line)
|
chunkPos = IO_stringPos(line)
|
||||||
tmp = IO_lc(IO_stringValue(line,chunkPos,1_pInt))
|
tmp = IO_lc(IO_stringValue(line,chunkPos,1_pInt))
|
||||||
if (verify(trim(tmp) ,"0123456789")/=0) then ! found keyword
|
if (verify(trim(tmp),'0123456789') == 0) then ! numerical values
|
||||||
|
IO_countNumericalDataLines = IO_countNumericalDataLines + 1_pInt
|
||||||
|
else
|
||||||
line = IO_read(fileUnit, .true.) ! reset IO_read
|
line = IO_read(fileUnit, .true.) ! reset IO_read
|
||||||
exit
|
exit
|
||||||
else
|
|
||||||
IO_countNumericalDataLines = IO_countNumericalDataLines + 1_pInt
|
|
||||||
endif
|
endif
|
||||||
enddo
|
enddo
|
||||||
backspace(fileUnit)
|
backspace(fileUnit)
|
||||||
|
|
|
||||||
|
|
@ -885,7 +885,8 @@ subroutine constitutive_collectDotState(Tstar_v, FeArray, FpArray, subdt, subfra
|
||||||
real(pReal), intent(in), dimension(6) :: &
|
real(pReal), intent(in), dimension(6) :: &
|
||||||
Tstar_v !< 2nd Piola Kirchhoff stress tensor (Mandel)
|
Tstar_v !< 2nd Piola Kirchhoff stress tensor (Mandel)
|
||||||
integer(pLongInt) :: &
|
integer(pLongInt) :: &
|
||||||
tick, tock, &
|
tick = 0_pLongInt, &
|
||||||
|
tock = 0_pLongInt, &
|
||||||
tickrate, &
|
tickrate, &
|
||||||
maxticks
|
maxticks
|
||||||
integer(pInt) :: &
|
integer(pInt) :: &
|
||||||
|
|
|
||||||
|
|
@ -55,14 +55,14 @@ module crystallite
|
||||||
crystallite_Li0, & !< intermediate velocitiy grad at start of FE inc
|
crystallite_Li0, & !< intermediate velocitiy grad at start of FE inc
|
||||||
crystallite_partionedLi0,& !< intermediate velocity grad at start of homog inc
|
crystallite_partionedLi0,& !< intermediate velocity grad at start of homog inc
|
||||||
crystallite_Fe, & !< current "elastic" def grad (end of converged time step)
|
crystallite_Fe, & !< current "elastic" def grad (end of converged time step)
|
||||||
crystallite_P, & !< 1st Piola-Kirchhoff stress per grain
|
crystallite_P !< 1st Piola-Kirchhoff stress per grain
|
||||||
crystallite_subF !< def grad to be reached at end of crystallite inc
|
|
||||||
real(pReal), dimension(:,:,:,:,:), allocatable, private :: &
|
real(pReal), dimension(:,:,:,:,:), allocatable, private :: &
|
||||||
crystallite_subFe0,& !< "elastic" def grad at start of crystallite inc
|
crystallite_subFe0,& !< "elastic" def grad at start of crystallite inc
|
||||||
crystallite_invFp, & !< inverse of current plastic def grad (end of converged time step)
|
crystallite_invFp, & !< inverse of current plastic def grad (end of converged time step)
|
||||||
crystallite_subFp0,& !< plastic def grad at start of crystallite inc
|
crystallite_subFp0,& !< plastic def grad at start of crystallite inc
|
||||||
crystallite_invFi, & !< inverse of current intermediate def grad (end of converged time step)
|
crystallite_invFi, & !< inverse of current intermediate def grad (end of converged time step)
|
||||||
crystallite_subFi0,& !< intermediate def grad at start of crystallite inc
|
crystallite_subFi0,& !< intermediate def grad at start of crystallite inc
|
||||||
|
crystallite_subF, & !< def grad to be reached at end of crystallite inc
|
||||||
crystallite_subF0, & !< def grad at start of crystallite inc
|
crystallite_subF0, & !< def grad at start of crystallite inc
|
||||||
crystallite_subLp0,& !< plastic velocity grad at start of crystallite inc
|
crystallite_subLp0,& !< plastic velocity grad at start of crystallite inc
|
||||||
crystallite_subLi0,& !< intermediate velocity grad at start of crystallite inc
|
crystallite_subLi0,& !< intermediate velocity grad at start of crystallite inc
|
||||||
|
|
@ -193,7 +193,7 @@ subroutine crystallite_init
|
||||||
c, & !< counter in integration point component loop
|
c, & !< counter in integration point component loop
|
||||||
i, & !< counter in integration point loop
|
i, & !< counter in integration point loop
|
||||||
e, & !< counter in element loop
|
e, & !< counter in element loop
|
||||||
o, & !< counter in output loop
|
o = 0_pInt, & !< counter in output loop
|
||||||
r, & !< counter in crystallite loop
|
r, & !< counter in crystallite loop
|
||||||
cMax, & !< maximum number of integration point components
|
cMax, & !< maximum number of integration point components
|
||||||
iMax, & !< maximum number of integration points
|
iMax, & !< maximum number of integration points
|
||||||
|
|
@ -1239,14 +1239,16 @@ subroutine crystallite_integrateStateRK4()
|
||||||
use numerics, only: &
|
use numerics, only: &
|
||||||
numerics_integrationMode
|
numerics_integrationMode
|
||||||
use debug, only: &
|
use debug, only: &
|
||||||
|
#ifdef DEBUG
|
||||||
|
debug_e, &
|
||||||
|
debug_i, &
|
||||||
|
debug_g, &
|
||||||
|
#endif
|
||||||
debug_level, &
|
debug_level, &
|
||||||
debug_crystallite, &
|
debug_crystallite, &
|
||||||
debug_levelBasic, &
|
debug_levelBasic, &
|
||||||
debug_levelExtensive, &
|
debug_levelExtensive, &
|
||||||
debug_levelSelective, &
|
debug_levelSelective, &
|
||||||
debug_e, &
|
|
||||||
debug_i, &
|
|
||||||
debug_g, &
|
|
||||||
debug_StateLoopDistribution
|
debug_StateLoopDistribution
|
||||||
use FEsolving, only: &
|
use FEsolving, only: &
|
||||||
FEsolving_execElem, &
|
FEsolving_execElem, &
|
||||||
|
|
@ -1533,14 +1535,16 @@ subroutine crystallite_integrateStateRKCK45()
|
||||||
use, intrinsic :: &
|
use, intrinsic :: &
|
||||||
IEEE_arithmetic
|
IEEE_arithmetic
|
||||||
use debug, only: &
|
use debug, only: &
|
||||||
|
#ifdef DEBUG
|
||||||
|
debug_e, &
|
||||||
|
debug_i, &
|
||||||
|
debug_g, &
|
||||||
|
#endif
|
||||||
debug_level, &
|
debug_level, &
|
||||||
debug_crystallite, &
|
debug_crystallite, &
|
||||||
debug_levelBasic, &
|
debug_levelBasic, &
|
||||||
debug_levelExtensive, &
|
debug_levelExtensive, &
|
||||||
debug_levelSelective, &
|
debug_levelSelective, &
|
||||||
debug_e, &
|
|
||||||
debug_i, &
|
|
||||||
debug_g, &
|
|
||||||
debug_StateLoopDistribution
|
debug_StateLoopDistribution
|
||||||
use numerics, only: &
|
use numerics, only: &
|
||||||
rTol_crystalliteState, &
|
rTol_crystalliteState, &
|
||||||
|
|
@ -2036,14 +2040,16 @@ subroutine crystallite_integrateStateAdaptiveEuler()
|
||||||
use, intrinsic :: &
|
use, intrinsic :: &
|
||||||
IEEE_arithmetic
|
IEEE_arithmetic
|
||||||
use debug, only: &
|
use debug, only: &
|
||||||
|
#ifdef DEBUG
|
||||||
|
debug_e, &
|
||||||
|
debug_i, &
|
||||||
|
debug_g, &
|
||||||
|
#endif
|
||||||
debug_level, &
|
debug_level, &
|
||||||
debug_crystallite, &
|
debug_crystallite, &
|
||||||
debug_levelBasic, &
|
debug_levelBasic, &
|
||||||
debug_levelExtensive, &
|
debug_levelExtensive, &
|
||||||
debug_levelSelective, &
|
debug_levelSelective, &
|
||||||
debug_e, &
|
|
||||||
debug_i, &
|
|
||||||
debug_g, &
|
|
||||||
debug_StateLoopDistribution
|
debug_StateLoopDistribution
|
||||||
use numerics, only: &
|
use numerics, only: &
|
||||||
rTol_crystalliteState, &
|
rTol_crystalliteState, &
|
||||||
|
|
@ -2396,14 +2402,16 @@ subroutine crystallite_integrateStateEuler()
|
||||||
use, intrinsic :: &
|
use, intrinsic :: &
|
||||||
IEEE_arithmetic
|
IEEE_arithmetic
|
||||||
use debug, only: &
|
use debug, only: &
|
||||||
|
#ifdef DEBUG
|
||||||
|
debug_e, &
|
||||||
|
debug_i, &
|
||||||
|
debug_g, &
|
||||||
|
#endif
|
||||||
debug_level, &
|
debug_level, &
|
||||||
debug_crystallite, &
|
debug_crystallite, &
|
||||||
debug_levelBasic, &
|
debug_levelBasic, &
|
||||||
debug_levelExtensive, &
|
debug_levelExtensive, &
|
||||||
debug_levelSelective, &
|
debug_levelSelective, &
|
||||||
debug_e, &
|
|
||||||
debug_i, &
|
|
||||||
debug_g, &
|
|
||||||
debug_StateLoopDistribution
|
debug_StateLoopDistribution
|
||||||
use numerics, only: &
|
use numerics, only: &
|
||||||
numerics_integrationMode, &
|
numerics_integrationMode, &
|
||||||
|
|
@ -2619,9 +2627,11 @@ subroutine crystallite_integrateStateFPI()
|
||||||
use, intrinsic :: &
|
use, intrinsic :: &
|
||||||
IEEE_arithmetic
|
IEEE_arithmetic
|
||||||
use debug, only: &
|
use debug, only: &
|
||||||
|
#ifdef DEBUG
|
||||||
debug_e, &
|
debug_e, &
|
||||||
debug_i, &
|
debug_i, &
|
||||||
debug_g, &
|
debug_g, &
|
||||||
|
#endif
|
||||||
debug_level,&
|
debug_level,&
|
||||||
debug_crystallite, &
|
debug_crystallite, &
|
||||||
debug_levelBasic, &
|
debug_levelBasic, &
|
||||||
|
|
@ -3068,14 +3078,16 @@ logical function crystallite_stateJump(ipc,ip,el)
|
||||||
IEEE_arithmetic
|
IEEE_arithmetic
|
||||||
use prec, only: &
|
use prec, only: &
|
||||||
dNeq0
|
dNeq0
|
||||||
|
#ifdef DEBUG
|
||||||
use debug, only: &
|
use debug, only: &
|
||||||
|
debug_e, &
|
||||||
|
debug_i, &
|
||||||
|
debug_g, &
|
||||||
debug_level, &
|
debug_level, &
|
||||||
debug_crystallite, &
|
debug_crystallite, &
|
||||||
debug_levelExtensive, &
|
debug_levelExtensive, &
|
||||||
debug_levelSelective, &
|
debug_levelSelective
|
||||||
debug_e, &
|
#endif
|
||||||
debug_i, &
|
|
||||||
debug_g
|
|
||||||
use material, only: &
|
use material, only: &
|
||||||
plasticState, &
|
plasticState, &
|
||||||
sourceState, &
|
sourceState, &
|
||||||
|
|
@ -3205,9 +3217,11 @@ logical function crystallite_integrateStress(&
|
||||||
debug_levelBasic, &
|
debug_levelBasic, &
|
||||||
debug_levelExtensive, &
|
debug_levelExtensive, &
|
||||||
debug_levelSelective, &
|
debug_levelSelective, &
|
||||||
|
#ifdef DEBUG
|
||||||
debug_e, &
|
debug_e, &
|
||||||
debug_i, &
|
debug_i, &
|
||||||
debug_g, &
|
debug_g, &
|
||||||
|
#endif
|
||||||
debug_cumLpCalls, &
|
debug_cumLpCalls, &
|
||||||
debug_cumLpTicks, &
|
debug_cumLpTicks, &
|
||||||
debug_StressLoopLpDistribution, &
|
debug_StressLoopLpDistribution, &
|
||||||
|
|
@ -3233,7 +3247,9 @@ logical function crystallite_integrateStress(&
|
||||||
math_Plain33to9, &
|
math_Plain33to9, &
|
||||||
math_Plain9to33, &
|
math_Plain9to33, &
|
||||||
math_Plain99to3333
|
math_Plain99to3333
|
||||||
|
#ifdef DEBUG
|
||||||
use mesh, only: mesh_element
|
use mesh, only: mesh_element
|
||||||
|
#endif
|
||||||
|
|
||||||
implicit none
|
implicit none
|
||||||
integer(pInt), intent(in):: el, & ! element index
|
integer(pInt), intent(in):: el, & ! element index
|
||||||
|
|
@ -3297,8 +3313,8 @@ logical function crystallite_integrateStress(&
|
||||||
p, &
|
p, &
|
||||||
jacoCounterLp, &
|
jacoCounterLp, &
|
||||||
jacoCounterLi ! counters to check for Jacobian update
|
jacoCounterLi ! counters to check for Jacobian update
|
||||||
integer(pLongInt) tick, &
|
integer(pLongInt) :: tick = 0_pLongInt, &
|
||||||
tock, &
|
tock = 0_pLongInt, &
|
||||||
tickrate, &
|
tickrate, &
|
||||||
maxticks
|
maxticks
|
||||||
|
|
||||||
|
|
|
||||||
|
|
@ -128,7 +128,7 @@ subroutine homogenization_init
|
||||||
integer(pInt), dimension(:) , pointer :: thisNoutput
|
integer(pInt), dimension(:) , pointer :: thisNoutput
|
||||||
character(len=64), dimension(:,:), pointer :: thisOutput
|
character(len=64), dimension(:,:), pointer :: thisOutput
|
||||||
character(len=32) :: outputName !< name of output, intermediate fix until HDF5 output is ready
|
character(len=32) :: outputName !< name of output, intermediate fix until HDF5 output is ready
|
||||||
logical :: knownHomogenization, knownThermal, knownDamage, knownVacancyflux, knownPorosity, knownHydrogenflux
|
logical :: valid
|
||||||
|
|
||||||
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
|
|
@ -199,7 +199,7 @@ subroutine homogenization_init
|
||||||
do p = 1,material_Nhomogenization
|
do p = 1,material_Nhomogenization
|
||||||
if (any(material_homog == p)) then
|
if (any(material_homog == p)) then
|
||||||
i = homogenization_typeInstance(p) ! which instance of this homogenization type
|
i = homogenization_typeInstance(p) ! which instance of this homogenization type
|
||||||
knownHomogenization = .true. ! assume valid
|
valid = .true. ! assume valid
|
||||||
select case(homogenization_type(p)) ! split per homogenization type
|
select case(homogenization_type(p)) ! split per homogenization type
|
||||||
case (HOMOGENIZATION_NONE_ID)
|
case (HOMOGENIZATION_NONE_ID)
|
||||||
outputName = HOMOGENIZATION_NONE_label
|
outputName = HOMOGENIZATION_NONE_label
|
||||||
|
|
@ -217,10 +217,10 @@ subroutine homogenization_init
|
||||||
thisOutput => homogenization_RGC_output
|
thisOutput => homogenization_RGC_output
|
||||||
thisSize => homogenization_RGC_sizePostResult
|
thisSize => homogenization_RGC_sizePostResult
|
||||||
case default
|
case default
|
||||||
knownHomogenization = .false.
|
valid = .false.
|
||||||
end select
|
end select
|
||||||
write(FILEUNIT,'(/,a,/)') '['//trim(homogenization_name(p))//']'
|
write(FILEUNIT,'(/,a,/)') '['//trim(homogenization_name(p))//']'
|
||||||
if (knownHomogenization) then
|
if (valid) then
|
||||||
write(FILEUNIT,'(a)') '(type)'//char(9)//trim(outputName)
|
write(FILEUNIT,'(a)') '(type)'//char(9)//trim(outputName)
|
||||||
write(FILEUNIT,'(a,i4)') '(ngrains)'//char(9),homogenization_Ngrains(p)
|
write(FILEUNIT,'(a,i4)') '(ngrains)'//char(9),homogenization_Ngrains(p)
|
||||||
if (homogenization_type(p) /= HOMOGENIZATION_NONE_ID) then
|
if (homogenization_type(p) /= HOMOGENIZATION_NONE_ID) then
|
||||||
|
|
@ -230,7 +230,7 @@ subroutine homogenization_init
|
||||||
endif
|
endif
|
||||||
endif
|
endif
|
||||||
i = thermal_typeInstance(p) ! which instance of this thermal type
|
i = thermal_typeInstance(p) ! which instance of this thermal type
|
||||||
knownThermal = .true. ! assume valid
|
valid = .true. ! assume valid
|
||||||
select case(thermal_type(p)) ! split per thermal type
|
select case(thermal_type(p)) ! split per thermal type
|
||||||
case (THERMAL_isothermal_ID)
|
case (THERMAL_isothermal_ID)
|
||||||
outputName = THERMAL_isothermal_label
|
outputName = THERMAL_isothermal_label
|
||||||
|
|
@ -248,9 +248,9 @@ subroutine homogenization_init
|
||||||
thisOutput => thermal_conduction_output
|
thisOutput => thermal_conduction_output
|
||||||
thisSize => thermal_conduction_sizePostResult
|
thisSize => thermal_conduction_sizePostResult
|
||||||
case default
|
case default
|
||||||
knownThermal = .false.
|
valid = .false.
|
||||||
end select
|
end select
|
||||||
if (knownThermal) then
|
if (valid) then
|
||||||
write(FILEUNIT,'(a)') '(thermal)'//char(9)//trim(outputName)
|
write(FILEUNIT,'(a)') '(thermal)'//char(9)//trim(outputName)
|
||||||
if (thermal_type(p) /= THERMAL_isothermal_ID) then
|
if (thermal_type(p) /= THERMAL_isothermal_ID) then
|
||||||
do e = 1,thisNoutput(i)
|
do e = 1,thisNoutput(i)
|
||||||
|
|
@ -259,7 +259,7 @@ subroutine homogenization_init
|
||||||
endif
|
endif
|
||||||
endif
|
endif
|
||||||
i = damage_typeInstance(p) ! which instance of this damage type
|
i = damage_typeInstance(p) ! which instance of this damage type
|
||||||
knownDamage = .true. ! assume valid
|
valid = .true. ! assume valid
|
||||||
select case(damage_type(p)) ! split per damage type
|
select case(damage_type(p)) ! split per damage type
|
||||||
case (DAMAGE_none_ID)
|
case (DAMAGE_none_ID)
|
||||||
outputName = DAMAGE_none_label
|
outputName = DAMAGE_none_label
|
||||||
|
|
@ -277,9 +277,9 @@ subroutine homogenization_init
|
||||||
thisOutput => damage_nonlocal_output
|
thisOutput => damage_nonlocal_output
|
||||||
thisSize => damage_nonlocal_sizePostResult
|
thisSize => damage_nonlocal_sizePostResult
|
||||||
case default
|
case default
|
||||||
knownDamage = .false.
|
valid = .false.
|
||||||
end select
|
end select
|
||||||
if (knownDamage) then
|
if (valid) then
|
||||||
write(FILEUNIT,'(a)') '(damage)'//char(9)//trim(outputName)
|
write(FILEUNIT,'(a)') '(damage)'//char(9)//trim(outputName)
|
||||||
if (damage_type(p) /= DAMAGE_none_ID) then
|
if (damage_type(p) /= DAMAGE_none_ID) then
|
||||||
do e = 1,thisNoutput(i)
|
do e = 1,thisNoutput(i)
|
||||||
|
|
@ -288,7 +288,7 @@ subroutine homogenization_init
|
||||||
endif
|
endif
|
||||||
endif
|
endif
|
||||||
i = vacancyflux_typeInstance(p) ! which instance of this vacancy flux type
|
i = vacancyflux_typeInstance(p) ! which instance of this vacancy flux type
|
||||||
knownVacancyflux = .true. ! assume valid
|
valid = .true. ! assume valid
|
||||||
select case(vacancyflux_type(p)) ! split per vacancy flux type
|
select case(vacancyflux_type(p)) ! split per vacancy flux type
|
||||||
case (VACANCYFLUX_isoconc_ID)
|
case (VACANCYFLUX_isoconc_ID)
|
||||||
outputName = VACANCYFLUX_isoconc_label
|
outputName = VACANCYFLUX_isoconc_label
|
||||||
|
|
@ -306,9 +306,9 @@ subroutine homogenization_init
|
||||||
thisOutput => vacancyflux_cahnhilliard_output
|
thisOutput => vacancyflux_cahnhilliard_output
|
||||||
thisSize => vacancyflux_cahnhilliard_sizePostResult
|
thisSize => vacancyflux_cahnhilliard_sizePostResult
|
||||||
case default
|
case default
|
||||||
knownVacancyflux = .false.
|
valid = .false.
|
||||||
end select
|
end select
|
||||||
if (knownVacancyflux) then
|
if (valid) then
|
||||||
write(FILEUNIT,'(a)') '(vacancyflux)'//char(9)//trim(outputName)
|
write(FILEUNIT,'(a)') '(vacancyflux)'//char(9)//trim(outputName)
|
||||||
if (vacancyflux_type(p) /= VACANCYFLUX_isoconc_ID) then
|
if (vacancyflux_type(p) /= VACANCYFLUX_isoconc_ID) then
|
||||||
do e = 1,thisNoutput(i)
|
do e = 1,thisNoutput(i)
|
||||||
|
|
@ -317,7 +317,7 @@ subroutine homogenization_init
|
||||||
endif
|
endif
|
||||||
endif
|
endif
|
||||||
i = porosity_typeInstance(p) ! which instance of this porosity type
|
i = porosity_typeInstance(p) ! which instance of this porosity type
|
||||||
knownPorosity = .true. ! assume valid
|
valid = .true. ! assume valid
|
||||||
select case(porosity_type(p)) ! split per porosity type
|
select case(porosity_type(p)) ! split per porosity type
|
||||||
case (POROSITY_none_ID)
|
case (POROSITY_none_ID)
|
||||||
outputName = POROSITY_none_label
|
outputName = POROSITY_none_label
|
||||||
|
|
@ -330,9 +330,9 @@ subroutine homogenization_init
|
||||||
thisOutput => porosity_phasefield_output
|
thisOutput => porosity_phasefield_output
|
||||||
thisSize => porosity_phasefield_sizePostResult
|
thisSize => porosity_phasefield_sizePostResult
|
||||||
case default
|
case default
|
||||||
knownPorosity = .false.
|
valid = .false.
|
||||||
end select
|
end select
|
||||||
if (knownPorosity) then
|
if (valid) then
|
||||||
write(FILEUNIT,'(a)') '(porosity)'//char(9)//trim(outputName)
|
write(FILEUNIT,'(a)') '(porosity)'//char(9)//trim(outputName)
|
||||||
if (porosity_type(p) /= POROSITY_none_ID) then
|
if (porosity_type(p) /= POROSITY_none_ID) then
|
||||||
do e = 1,thisNoutput(i)
|
do e = 1,thisNoutput(i)
|
||||||
|
|
@ -341,7 +341,7 @@ subroutine homogenization_init
|
||||||
endif
|
endif
|
||||||
endif
|
endif
|
||||||
i = hydrogenflux_typeInstance(p) ! which instance of this hydrogen flux type
|
i = hydrogenflux_typeInstance(p) ! which instance of this hydrogen flux type
|
||||||
knownHydrogenflux = .true. ! assume valid
|
valid = .true. ! assume valid
|
||||||
select case(hydrogenflux_type(p)) ! split per hydrogen flux type
|
select case(hydrogenflux_type(p)) ! split per hydrogen flux type
|
||||||
case (HYDROGENFLUX_isoconc_ID)
|
case (HYDROGENFLUX_isoconc_ID)
|
||||||
outputName = HYDROGENFLUX_isoconc_label
|
outputName = HYDROGENFLUX_isoconc_label
|
||||||
|
|
@ -354,9 +354,9 @@ subroutine homogenization_init
|
||||||
thisOutput => hydrogenflux_cahnhilliard_output
|
thisOutput => hydrogenflux_cahnhilliard_output
|
||||||
thisSize => hydrogenflux_cahnhilliard_sizePostResult
|
thisSize => hydrogenflux_cahnhilliard_sizePostResult
|
||||||
case default
|
case default
|
||||||
knownHydrogenflux = .false.
|
valid = .false.
|
||||||
end select
|
end select
|
||||||
if (knownHydrogenflux) then
|
if (valid) then
|
||||||
write(FILEUNIT,'(a)') '(hydrogenflux)'//char(9)//trim(outputName)
|
write(FILEUNIT,'(a)') '(hydrogenflux)'//char(9)//trim(outputName)
|
||||||
if (hydrogenflux_type(p) /= HYDROGENFLUX_isoconc_ID) then
|
if (hydrogenflux_type(p) /= HYDROGENFLUX_isoconc_ID) then
|
||||||
do e = 1,thisNoutput(i)
|
do e = 1,thisNoutput(i)
|
||||||
|
|
|
||||||
62
src/mesh.f90
62
src/mesh.f90
|
|
@ -379,30 +379,30 @@ module mesh
|
||||||
],pInt)
|
],pInt)
|
||||||
|
|
||||||
|
|
||||||
integer(pInt), dimension(FE_Nelemtypes), parameter, private :: MESH_VTKELEMTYPE = &
|
! integer(pInt), dimension(FE_Nelemtypes), parameter, private :: MESH_VTKELEMTYPE = &
|
||||||
int([ &
|
! int([ &
|
||||||
5, & ! element 6 (2D 3node 1ip)
|
! 5, & ! element 6 (2D 3node 1ip)
|
||||||
22, & ! element 125 (2D 6node 3ip)
|
! 22, & ! element 125 (2D 6node 3ip)
|
||||||
9, & ! element 11 (2D 4node 4ip)
|
! 9, & ! element 11 (2D 4node 4ip)
|
||||||
23, & ! element 27 (2D 8node 9ip)
|
! 23, & ! element 27 (2D 8node 9ip)
|
||||||
23, & ! element 54 (2D 8node 4ip)
|
! 23, & ! element 54 (2D 8node 4ip)
|
||||||
10, & ! element 134 (3D 4node 1ip)
|
! 10, & ! element 134 (3D 4node 1ip)
|
||||||
10, & ! element 157 (3D 5node 4ip)
|
! 10, & ! element 157 (3D 5node 4ip)
|
||||||
24, & ! element 127 (3D 10node 4ip)
|
! 24, & ! element 127 (3D 10node 4ip)
|
||||||
13, & ! element 136 (3D 6node 6ip)
|
! 13, & ! element 136 (3D 6node 6ip)
|
||||||
12, & ! element 117 (3D 8node 1ip)
|
! 12, & ! element 117 (3D 8node 1ip)
|
||||||
12, & ! element 7 (3D 8node 8ip)
|
! 12, & ! element 7 (3D 8node 8ip)
|
||||||
25, & ! element 57 (3D 20node 8ip)
|
! 25, & ! element 57 (3D 20node 8ip)
|
||||||
25 & ! element 21 (3D 20node 27ip)
|
! 25 & ! element 21 (3D 20node 27ip)
|
||||||
],pInt)
|
! ],pInt)
|
||||||
|
!
|
||||||
integer(pInt), dimension(FE_Ncelltypes), parameter, private :: MESH_VTKCELLTYPE = &
|
! integer(pInt), dimension(FE_Ncelltypes), parameter, private :: MESH_VTKCELLTYPE = &
|
||||||
int([ &
|
! int([ &
|
||||||
5, & ! (2D 3node)
|
! 5, & ! (2D 3node)
|
||||||
9, & ! (2D 4node)
|
! 9, & ! (2D 4node)
|
||||||
10, & ! (3D 4node)
|
! 10, & ! (3D 4node)
|
||||||
12 & ! (3D 8node)
|
! 12 & ! (3D 8node)
|
||||||
],pInt)
|
! ],pInt)
|
||||||
|
|
||||||
|
|
||||||
public :: &
|
public :: &
|
||||||
|
|
@ -2848,16 +2848,18 @@ use IO, only: &
|
||||||
implicit none
|
implicit none
|
||||||
integer(pInt), intent(in) :: fileUnit
|
integer(pInt), intent(in) :: fileUnit
|
||||||
|
|
||||||
#ifndef Spectral
|
#ifdef Spectral
|
||||||
|
mesh_periodicSurface = .true.
|
||||||
|
|
||||||
|
end subroutine mesh_get_damaskOptions
|
||||||
|
|
||||||
|
#else
|
||||||
|
|
||||||
integer(pInt), allocatable, dimension(:) :: chunkPos
|
integer(pInt), allocatable, dimension(:) :: chunkPos
|
||||||
integer(pInt) chunk, Nchunks
|
integer(pInt) chunk, Nchunks
|
||||||
character(len=300) :: line, damaskOption, v
|
character(len=300) :: line, damaskOption, v
|
||||||
character(len=300) :: keyword
|
character(len=300) :: keyword
|
||||||
#endif
|
|
||||||
|
|
||||||
#ifdef Spectral
|
|
||||||
mesh_periodicSurface = .true.
|
|
||||||
#else
|
|
||||||
mesh_periodicSurface = .false.
|
mesh_periodicSurface = .false.
|
||||||
#ifdef Marc4DAMASK
|
#ifdef Marc4DAMASK
|
||||||
keyword = '$damask'
|
keyword = '$damask'
|
||||||
|
|
@ -2886,9 +2888,9 @@ use IO, only: &
|
||||||
enddo
|
enddo
|
||||||
|
|
||||||
610 FORMAT(A300)
|
610 FORMAT(A300)
|
||||||
#endif
|
|
||||||
|
|
||||||
620 end subroutine mesh_get_damaskOptions
|
620 end subroutine mesh_get_damaskOptions
|
||||||
|
#endif
|
||||||
|
|
||||||
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
|
|
|
||||||
|
|
@ -120,9 +120,9 @@ module numerics
|
||||||
petsc_options = ''
|
petsc_options = ''
|
||||||
integer(pInt), protected, public :: &
|
integer(pInt), protected, public :: &
|
||||||
fftw_planner_flag = 32_pInt, & !< conversion of fftw_plan_mode to integer, basically what is usually done in the include file of fftw
|
fftw_planner_flag = 32_pInt, & !< conversion of fftw_plan_mode to integer, basically what is usually done in the include file of fftw
|
||||||
continueCalculation = 0_pInt, & !< 0: exit if BVP solver does not converge, 1: continue calculation if BVP solver does not converge
|
|
||||||
divergence_correction = 2_pInt !< correct divergence calculation in fourier space 0: no correction, 1: size scaled to 1, 2: size scaled to Npoints
|
divergence_correction = 2_pInt !< correct divergence calculation in fourier space 0: no correction, 1: size scaled to 1, 2: size scaled to Npoints
|
||||||
logical, protected, public :: &
|
logical, protected, public :: &
|
||||||
|
continueCalculation = .false., & !< false:exit if BVP solver does not converge, true: continue calculation despite BVP solver not converging
|
||||||
memory_efficient = .true., & !< for fast execution (pre calculation of gamma_hat), Default .true.: do not precalculate
|
memory_efficient = .true., & !< for fast execution (pre calculation of gamma_hat), Default .true.: do not precalculate
|
||||||
update_gamma = .false. !< update gamma operator with current stiffness, Default .false.: use initial stiffness
|
update_gamma = .false. !< update gamma operator with current stiffness, Default .false.: use initial stiffness
|
||||||
#endif
|
#endif
|
||||||
|
|
@ -424,7 +424,7 @@ subroutine numerics_init
|
||||||
case ('err_stress_tolabs')
|
case ('err_stress_tolabs')
|
||||||
err_stress_tolabs = IO_floatValue(line,chunkPos,2_pInt)
|
err_stress_tolabs = IO_floatValue(line,chunkPos,2_pInt)
|
||||||
case ('continuecalculation')
|
case ('continuecalculation')
|
||||||
continueCalculation = IO_intValue(line,chunkPos,2_pInt)
|
continueCalculation = IO_intValue(line,chunkPos,2_pInt) > 0_pInt
|
||||||
case ('memory_efficient')
|
case ('memory_efficient')
|
||||||
memory_efficient = IO_intValue(line,chunkPos,2_pInt) > 0_pInt
|
memory_efficient = IO_intValue(line,chunkPos,2_pInt) > 0_pInt
|
||||||
case ('fftw_timelimit')
|
case ('fftw_timelimit')
|
||||||
|
|
@ -599,7 +599,7 @@ subroutine numerics_init
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
! spectral parameters
|
! spectral parameters
|
||||||
#ifdef Spectral
|
#ifdef Spectral
|
||||||
write(6,'(a24,1x,i8)') ' continueCalculation: ',continueCalculation
|
write(6,'(a24,1x,L8)') ' continueCalculation: ',continueCalculation
|
||||||
write(6,'(a24,1x,L8)') ' memory_efficient: ',memory_efficient
|
write(6,'(a24,1x,L8)') ' memory_efficient: ',memory_efficient
|
||||||
write(6,'(a24,1x,i8)') ' divergence_correction: ',divergence_correction
|
write(6,'(a24,1x,i8)') ' divergence_correction: ',divergence_correction
|
||||||
write(6,'(a24,1x,a)') ' spectral_derivative: ',trim(spectral_derivative)
|
write(6,'(a24,1x,a)') ' spectral_derivative: ',trim(spectral_derivative)
|
||||||
|
|
@ -698,8 +698,6 @@ subroutine numerics_init
|
||||||
if (err_hydrogenflux_tolabs <= 0.0_pReal) call IO_error(301_pInt,ext_msg='err_hydrogenflux_tolabs')
|
if (err_hydrogenflux_tolabs <= 0.0_pReal) call IO_error(301_pInt,ext_msg='err_hydrogenflux_tolabs')
|
||||||
if (err_hydrogenflux_tolrel <= 0.0_pReal) call IO_error(301_pInt,ext_msg='err_hydrogenflux_tolrel')
|
if (err_hydrogenflux_tolrel <= 0.0_pReal) call IO_error(301_pInt,ext_msg='err_hydrogenflux_tolrel')
|
||||||
#ifdef Spectral
|
#ifdef Spectral
|
||||||
if (continueCalculation /= 0_pInt .and. &
|
|
||||||
continueCalculation /= 1_pInt) call IO_error(301_pInt,ext_msg='continueCalculation')
|
|
||||||
if (divergence_correction < 0_pInt .or. &
|
if (divergence_correction < 0_pInt .or. &
|
||||||
divergence_correction > 2_pInt) call IO_error(301_pInt,ext_msg='divergence_correction')
|
divergence_correction > 2_pInt) call IO_error(301_pInt,ext_msg='divergence_correction')
|
||||||
if (update_gamma .and. &
|
if (update_gamma .and. &
|
||||||
|
|
|
||||||
|
|
@ -15,7 +15,7 @@ module DAMASK_interface
|
||||||
private
|
private
|
||||||
#include <petsc/finclude/petscsys.h>
|
#include <petsc/finclude/petscsys.h>
|
||||||
logical, public, protected :: appendToOutFile = .false. !< Append to existing spectralOut file (in case of restart, not in case of regridding)
|
logical, public, protected :: appendToOutFile = .false. !< Append to existing spectralOut file (in case of restart, not in case of regridding)
|
||||||
integer(pInt), public, protected :: spectralRestartInc = 1_pInt !< Increment at which calculation starts
|
integer(pInt), public, protected :: spectralRestartInc = 0_pInt !< Increment at which calculation starts
|
||||||
character(len=1024), public, protected :: &
|
character(len=1024), public, protected :: &
|
||||||
geometryFile = '', & !< parameter given for geometry file
|
geometryFile = '', & !< parameter given for geometry file
|
||||||
loadCaseFile = '' !< parameter given for load case file
|
loadCaseFile = '' !< parameter given for load case file
|
||||||
|
|
@ -167,12 +167,12 @@ subroutine DAMASK_interface_init()
|
||||||
write(6,'(a)') ' For further configuration place "numerics.config"'
|
write(6,'(a)') ' For further configuration place "numerics.config"'
|
||||||
write(6,'(a)')' and "debug.config" in that directory.'
|
write(6,'(a)')' and "debug.config" in that directory.'
|
||||||
write(6,'(/,a)')' --restart XX'
|
write(6,'(/,a)')' --restart XX'
|
||||||
write(6,'(a)') ' Reads in total increment No. XX-1 and continues to'
|
write(6,'(a)') ' Reads in increment XX and continues with calculating'
|
||||||
write(6,'(a)') ' calculate total increment No. XX.'
|
write(6,'(a)') ' increment XX+1 based on this.'
|
||||||
write(6,'(a)') ' Appends to existing results file '
|
write(6,'(a)') ' Appends to existing results file'
|
||||||
write(6,'(a)') ' "NameOfGeom_NameOfLoadFile.spectralOut".'
|
write(6,'(a)') ' "NameOfGeom_NameOfLoadFile.spectralOut".'
|
||||||
write(6,'(a)') ' Works only if the restart information for total increment'
|
write(6,'(a)') ' Works only if the restart information for increment XX'
|
||||||
write(6,'(a)') ' No. XX-1 is available in the working directory.'
|
write(6,'(a)') ' is available in the working directory.'
|
||||||
write(6,'(/,a)')' -----------------------------------------------------------------------'
|
write(6,'(/,a)')' -----------------------------------------------------------------------'
|
||||||
write(6,'(a)') ' Help:'
|
write(6,'(a)') ' Help:'
|
||||||
write(6,'(/,a)')' --help'
|
write(6,'(/,a)')' --help'
|
||||||
|
|
@ -204,7 +204,7 @@ subroutine DAMASK_interface_init()
|
||||||
write(6,'(a,a)') ' Host name: ', trim(hostName)
|
write(6,'(a,a)') ' Host name: ', trim(hostName)
|
||||||
write(6,'(a,a)') ' User name: ', trim(userName)
|
write(6,'(a,a)') ' User name: ', trim(userName)
|
||||||
write(6,'(a,a)') ' Command line call: ', trim(commandLine)
|
write(6,'(a,a)') ' Command line call: ', trim(commandLine)
|
||||||
if (len(trim(workingDirArg))>0) &
|
if (len(trim(workingDirArg)) > 0) &
|
||||||
write(6,'(a,a)') ' Working dir argument: ', trim(workingDirArg)
|
write(6,'(a,a)') ' Working dir argument: ', trim(workingDirArg)
|
||||||
write(6,'(a,a)') ' Geometry argument: ', trim(geometryArg)
|
write(6,'(a,a)') ' Geometry argument: ', trim(geometryArg)
|
||||||
write(6,'(a,a)') ' Loadcase argument: ', trim(loadcaseArg)
|
write(6,'(a,a)') ' Loadcase argument: ', trim(loadcaseArg)
|
||||||
|
|
@ -212,8 +212,8 @@ subroutine DAMASK_interface_init()
|
||||||
write(6,'(a,a)') ' Geometry file: ', trim(geometryFile)
|
write(6,'(a,a)') ' Geometry file: ', trim(geometryFile)
|
||||||
write(6,'(a,a)') ' Loadcase file: ', trim(loadCaseFile)
|
write(6,'(a,a)') ' Loadcase file: ', trim(loadCaseFile)
|
||||||
write(6,'(a,a)') ' Solver job name: ', trim(getSolverJobName())
|
write(6,'(a,a)') ' Solver job name: ', trim(getSolverJobName())
|
||||||
if (SpectralRestartInc > 1_pInt) &
|
if (SpectralRestartInc > 0_pInt) &
|
||||||
write(6,'(a,i6.6)') ' Restart at increment: ', spectralRestartInc
|
write(6,'(a,i6.6)') ' Restart from increment: ', spectralRestartInc
|
||||||
write(6,'(a,l1,/)') ' Append to result file: ', appendToOutFile
|
write(6,'(a,l1,/)') ' Append to result file: ', appendToOutFile
|
||||||
|
|
||||||
end subroutine DAMASK_interface_init
|
end subroutine DAMASK_interface_init
|
||||||
|
|
|
||||||
|
|
@ -43,17 +43,20 @@ module spectral_mech_AL
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
! stress, stiffness and compliance average etc.
|
! stress, stiffness and compliance average etc.
|
||||||
real(pReal), private, dimension(3,3) :: &
|
real(pReal), private, dimension(3,3) :: &
|
||||||
F_aimDot, & !< assumed rate of average deformation gradient
|
F_aimDot = 0.0_pReal, & !< assumed rate of average deformation gradient
|
||||||
F_aim = math_I3, & !< current prescribed deformation gradient
|
F_aim = math_I3, & !< current prescribed deformation gradient
|
||||||
F_aim_lastInc = math_I3, & !< previous average deformation gradient
|
F_aim_lastInc = math_I3, & !< previous average deformation gradient
|
||||||
F_av = 0.0_pReal, & !< average incompatible def grad field
|
F_av = 0.0_pReal, & !< average incompatible def grad field
|
||||||
P_av = 0.0_pReal, & !< average 1st Piola--Kirchhoff stress
|
P_av = 0.0_pReal, & !< average 1st Piola--Kirchhoff stress
|
||||||
P_avLastEval = 0.0_pReal !< average 1st Piola--Kirchhoff stress last call of CPFEM_general
|
P_avLastEval = 0.0_pReal !< average 1st Piola--Kirchhoff stress last call of CPFEM_general
|
||||||
|
|
||||||
character(len=1024), private :: incInfo !< time and increment information
|
character(len=1024), private :: incInfo !< time and increment information
|
||||||
|
|
||||||
real(pReal), private, dimension(3,3,3,3) :: &
|
real(pReal), private, dimension(3,3,3,3) :: &
|
||||||
C_volAvg = 0.0_pReal, & !< current volume average stiffness
|
C_volAvg = 0.0_pReal, & !< current volume average stiffness
|
||||||
C_volAvgLastInc = 0.0_pReal, & !< previous volume average stiffness
|
C_volAvgLastInc = 0.0_pReal, & !< previous volume average stiffness
|
||||||
C_minMaxAvg = 0.0_pReal, & !< current (min+max)/2 stiffness
|
C_minMaxAvg = 0.0_pReal, & !< current (min+max)/2 stiffness
|
||||||
|
C_minMaxAvgLastInc = 0.0_pReal, & !< previous (min+max)/2 stiffness
|
||||||
S = 0.0_pReal, & !< current compliance (filled up with zeros)
|
S = 0.0_pReal, & !< current compliance (filled up with zeros)
|
||||||
C_scale = 0.0_pReal, &
|
C_scale = 0.0_pReal, &
|
||||||
S_scale = 0.0_pReal
|
S_scale = 0.0_pReal
|
||||||
|
|
@ -62,7 +65,7 @@ module spectral_mech_AL
|
||||||
err_BC, & !< deviation from stress BC
|
err_BC, & !< deviation from stress BC
|
||||||
err_curl, & !< RMS of curl of F
|
err_curl, & !< RMS of curl of F
|
||||||
err_div !< RMS of div of P
|
err_div !< RMS of div of P
|
||||||
logical, private :: ForwardData
|
|
||||||
integer(pInt), private :: &
|
integer(pInt), private :: &
|
||||||
totalIter = 0_pInt !< total iteration in current increment
|
totalIter = 0_pInt !< total iteration in current increment
|
||||||
|
|
||||||
|
|
@ -80,7 +83,7 @@ module spectral_mech_AL
|
||||||
contains
|
contains
|
||||||
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
!> @brief allocates all neccessary fields and fills them with data, potentially from restart info
|
!> @brief allocates all necessary fields and fills them with data, potentially from restart info
|
||||||
!> @todo use sourced allocation, e.g. allocate(Fdot,source = F_lastInc)
|
!> @todo use sourced allocation, e.g. allocate(Fdot,source = F_lastInc)
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
subroutine AL_init
|
subroutine AL_init
|
||||||
|
|
@ -102,12 +105,15 @@ subroutine AL_init
|
||||||
use numerics, only: &
|
use numerics, only: &
|
||||||
worldrank, &
|
worldrank, &
|
||||||
worldsize
|
worldsize
|
||||||
|
use homogenization, only: &
|
||||||
|
materialpoint_F0
|
||||||
use DAMASK_interface, only: &
|
use DAMASK_interface, only: &
|
||||||
getSolverJobName
|
getSolverJobName
|
||||||
use spectral_utilities, only: &
|
use spectral_utilities, only: &
|
||||||
Utilities_constitutiveResponse, &
|
Utilities_constitutiveResponse, &
|
||||||
Utilities_updateGamma, &
|
Utilities_updateGamma, &
|
||||||
Utilities_updateIPcoords
|
Utilities_updateIPcoords, &
|
||||||
|
wgt
|
||||||
use mesh, only: &
|
use mesh, only: &
|
||||||
grid, &
|
grid, &
|
||||||
grid3
|
grid3
|
||||||
|
|
@ -120,7 +126,11 @@ subroutine AL_init
|
||||||
temp33_Real = 0.0_pReal
|
temp33_Real = 0.0_pReal
|
||||||
|
|
||||||
PetscErrorCode :: ierr
|
PetscErrorCode :: ierr
|
||||||
PetscScalar, pointer, dimension(:,:,:,:) :: xx_psc, F, F_lambda
|
PetscScalar, pointer, dimension(:,:,:,:) :: &
|
||||||
|
FandF_lambda, & ! overall pointer to solution data
|
||||||
|
F, & ! specific (sub)pointer
|
||||||
|
F_lambda ! specific (sub)pointer
|
||||||
|
|
||||||
integer(pInt), dimension(:), allocatable :: localK
|
integer(pInt), dimension(:), allocatable :: localK
|
||||||
integer(pInt) :: proc
|
integer(pInt) :: proc
|
||||||
character(len=1024) :: rankStr
|
character(len=1024) :: rankStr
|
||||||
|
|
@ -164,78 +174,70 @@ subroutine AL_init
|
||||||
grid(1),grid(2),localK, & ! local grid
|
grid(1),grid(2),localK, & ! local grid
|
||||||
da,ierr) ! handle, error
|
da,ierr) ! handle, error
|
||||||
CHKERRQ(ierr)
|
CHKERRQ(ierr)
|
||||||
call SNESSetDM(snes,da,ierr); CHKERRQ(ierr)
|
call SNESSetDM(snes,da,ierr); CHKERRQ(ierr) ! connect snes to da
|
||||||
call DMCreateGlobalVector(da,solution_vec,ierr); CHKERRQ(ierr)
|
call DMCreateGlobalVector(da,solution_vec,ierr); CHKERRQ(ierr) ! global solution vector (grid x 9, i.e. every def grad tensor)
|
||||||
call DMDASNESSetFunctionLocal(da,INSERT_VALUES,AL_formResidual,PETSC_NULL_OBJECT,ierr)
|
call DMDASNESSetFunctionLocal(da,INSERT_VALUES,AL_formResidual,PETSC_NULL_OBJECT,ierr) ! residual vector of same shape as solution vector
|
||||||
CHKERRQ(ierr)
|
CHKERRQ(ierr)
|
||||||
call SNESSetConvergenceTest(snes,AL_converged,PETSC_NULL_OBJECT,PETSC_NULL_FUNCTION,ierr)
|
call SNESSetConvergenceTest(snes,AL_converged,PETSC_NULL_OBJECT,PETSC_NULL_FUNCTION,ierr) ! specify custom convergence check function "_converged"
|
||||||
CHKERRQ(ierr)
|
CHKERRQ(ierr)
|
||||||
call SNESSetFromOptions(snes,ierr); CHKERRQ(ierr)
|
call SNESSetFromOptions(snes,ierr); CHKERRQ(ierr) ! pull it all together with additional cli arguments
|
||||||
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
! init fields
|
! init fields
|
||||||
call DMDAVecGetArrayF90(da,solution_vec,xx_psc,ierr); CHKERRQ(ierr) ! places pointer xx_psc on PETSc data
|
call DMDAVecGetArrayF90(da,solution_vec,FandF_lambda,ierr); CHKERRQ(ierr) ! places pointer on PETSc data
|
||||||
F => xx_psc(0:8,:,:,:)
|
F => FandF_lambda( 0: 8,:,:,:)
|
||||||
F_lambda => xx_psc(9:17,:,:,:)
|
F_lambda => FandF_lambda( 9:17,:,:,:)
|
||||||
restart: if (restartInc > 1_pInt) then
|
|
||||||
if (iand(debug_level(debug_spectral),debug_spectralRestart)/= 0 .and. worldrank == 0_pInt) &
|
restart: if (restartInc > 0_pInt) then
|
||||||
write(6,'(/,a,'//IO_intOut(restartInc-1_pInt)//',a)') &
|
if (iand(debug_level(debug_spectral),debug_spectralRestart) /= 0) then
|
||||||
'reading values of increment ', restartInc - 1_pInt, ' from file'
|
write(6,'(/,a,'//IO_intOut(restartInc)//',a)') &
|
||||||
|
'reading values of increment ', restartInc, ' from file'
|
||||||
flush(6)
|
flush(6)
|
||||||
|
endif
|
||||||
write(rankStr,'(a1,i0)')'_',worldrank
|
write(rankStr,'(a1,i0)')'_',worldrank
|
||||||
call IO_read_realFile(777,'F'//trim(rankStr),trim(getSolverJobName()),size(F))
|
call IO_read_realFile(777,'F'//trim(rankStr),trim(getSolverJobName()),size(F))
|
||||||
read (777,rec=1) F
|
read (777,rec=1) F; close (777)
|
||||||
close (777)
|
|
||||||
call IO_read_realFile(777,'F_lastInc'//trim(rankStr),trim(getSolverJobName()),size(F_lastInc))
|
call IO_read_realFile(777,'F_lastInc'//trim(rankStr),trim(getSolverJobName()),size(F_lastInc))
|
||||||
read (777,rec=1) F_lastInc
|
read (777,rec=1) F_lastInc; close (777)
|
||||||
close (777)
|
|
||||||
call IO_read_realFile(777,'F_lambda'//trim(rankStr),trim(getSolverJobName()),size(F_lambda))
|
call IO_read_realFile(777,'F_lambda'//trim(rankStr),trim(getSolverJobName()),size(F_lambda))
|
||||||
read (777,rec=1) F_lambda
|
read (777,rec=1) F_lambda; close (777)
|
||||||
close (777)
|
call IO_read_realFile(777,'F_lambda_lastInc'//trim(rankStr),trim(getSolverJobName()),size(F_lambda_lastInc))
|
||||||
call IO_read_realFile(777,'F_lambda_lastInc'//trim(rankStr),&
|
read (777,rec=1) F_lambda_lastInc; close (777)
|
||||||
trim(getSolverJobName()),size(F_lambda_lastInc))
|
call IO_read_realFile(777,'F_aimDot',trim(getSolverJobName()),size(F_aimDot))
|
||||||
read (777,rec=1) F_lambda_lastInc
|
read (777,rec=1) F_aimDot; close (777)
|
||||||
close (777)
|
F_aim = reshape(sum(sum(sum(F,dim=4),dim=3),dim=2) * wgt, [3,3]) ! average of F
|
||||||
call IO_read_realFile(777,'F_aim', trim(getSolverJobName()),size(F_aim))
|
F_aim_lastInc = sum(sum(sum(F_lastInc,dim=5),dim=4),dim=3) * wgt ! average of F_lastInc
|
||||||
read (777,rec=1) F_aim
|
elseif (restartInc == 0_pInt) then restart
|
||||||
close (777)
|
|
||||||
call IO_read_realFile(777,'F_aim_lastInc', trim(getSolverJobName()),size(F_aim_lastInc))
|
|
||||||
read (777,rec=1) F_aim_lastInc
|
|
||||||
close (777)
|
|
||||||
call IO_read_realFile(777,'F_aimDot',trim(getSolverJobName()),size(f_aimDot))
|
|
||||||
read (777,rec=1) f_aimDot
|
|
||||||
close (777)
|
|
||||||
elseif (restartInc == 1_pInt) then restart
|
|
||||||
F_lastInc = spread(spread(spread(math_I3,3,grid(1)),4,grid(2)),5,grid3) ! initialize to identity
|
F_lastInc = spread(spread(spread(math_I3,3,grid(1)),4,grid(2)),5,grid3) ! initialize to identity
|
||||||
F = reshape(F_lastInc,[9,grid(1),grid(2),grid3])
|
F = reshape(F_lastInc,[9,grid(1),grid(2),grid3])
|
||||||
F_lambda = F
|
F_lambda = F
|
||||||
F_lambda_lastInc = F_lastInc
|
F_lambda_lastInc = F_lastInc
|
||||||
endif restart
|
endif restart
|
||||||
|
|
||||||
|
materialpoint_F0 = reshape(F_lastInc, [3,3,1,product(grid(1:2))*grid3]) ! set starting condition for materialpoint_stressAndItsTangent
|
||||||
call Utilities_updateIPcoords(reshape(F,shape(F_lastInc)))
|
call Utilities_updateIPcoords(reshape(F,shape(F_lastInc)))
|
||||||
call Utilities_constitutiveResponse(F_lastInc, reshape(F,shape(F_lastInc)), &
|
call Utilities_constitutiveResponse(P,temp33_Real,C_volAvg,C_minMaxAvg, & ! stress field, stress avg, global average of stiffness and (min+max)/2
|
||||||
0.0_pReal,P,C_volAvg,C_minMaxAvg,temp33_Real,.false.,math_I3)
|
reshape(F,shape(F_lastInc)), & ! target F
|
||||||
|
0.0_pReal, & ! time increment
|
||||||
|
math_I3) ! no rotation of boundary condition
|
||||||
nullify(F)
|
nullify(F)
|
||||||
nullify(F_lambda)
|
nullify(F_lambda)
|
||||||
call DMDAVecRestoreArrayF90(da,solution_vec,xx_psc,ierr); CHKERRQ(ierr) ! write data back to PETSc
|
call DMDAVecRestoreArrayF90(da,solution_vec,FandF_lambda,ierr); CHKERRQ(ierr) ! write data back to PETSc
|
||||||
|
|
||||||
restartRead: if (restartInc > 1_pInt) then
|
restartRead: if (restartInc > 0_pInt) then
|
||||||
if (iand(debug_level(debug_spectral),debug_spectralRestart)/= 0 .and. worldrank == 0_pInt) &
|
if (iand(debug_level(debug_spectral),debug_spectralRestart)/= 0 .and. worldrank == 0_pInt) &
|
||||||
write(6,'(/,a,'//IO_intOut(restartInc-1_pInt)//',a)') &
|
write(6,'(/,a,'//IO_intOut(restartInc)//',a)') &
|
||||||
'reading more values of increment', restartInc - 1_pInt, 'from file'
|
'reading more values of increment ', restartInc, ' from file'
|
||||||
flush(6)
|
flush(6)
|
||||||
call IO_read_realFile(777,'C_volAvg',trim(getSolverJobName()),size(C_volAvg))
|
call IO_read_realFile(777,'C_volAvg',trim(getSolverJobName()),size(C_volAvg))
|
||||||
read (777,rec=1) C_volAvg
|
read (777,rec=1) C_volAvg; close (777)
|
||||||
close (777)
|
|
||||||
call IO_read_realFile(777,'C_volAvgLastInc',trim(getSolverJobName()),size(C_volAvgLastInc))
|
call IO_read_realFile(777,'C_volAvgLastInc',trim(getSolverJobName()),size(C_volAvgLastInc))
|
||||||
read (777,rec=1) C_volAvgLastInc
|
read (777,rec=1) C_volAvgLastInc; close (777)
|
||||||
close (777)
|
|
||||||
call IO_read_realFile(777,'C_ref',trim(getSolverJobName()),size(C_minMaxAvg))
|
call IO_read_realFile(777,'C_ref',trim(getSolverJobName()),size(C_minMaxAvg))
|
||||||
read (777,rec=1) C_minMaxAvg
|
read (777,rec=1) C_minMaxAvg; close (777)
|
||||||
close (777)
|
|
||||||
endif restartRead
|
endif restartRead
|
||||||
|
|
||||||
call Utilities_updateGamma(C_minMaxAvg,.True.)
|
call Utilities_updateGamma(C_minMaxAvg,.true.)
|
||||||
C_scale = C_minMaxAvg
|
C_scale = C_minMaxAvg
|
||||||
S_scale = math_invSym3333(C_minMaxAvg)
|
S_scale = math_invSym3333(C_minMaxAvg)
|
||||||
|
|
||||||
|
|
@ -245,8 +247,7 @@ end subroutine AL_init
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
!> @brief solution for the AL scheme with internal iterations
|
!> @brief solution for the AL scheme with internal iterations
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
type(tSolutionState) function &
|
type(tSolutionState) function AL_solution(incInfoIn,timeinc,timeinc_old,stress_BC,rotation_BC)
|
||||||
AL_solution(incInfoIn,timeinc,timeinc_old,stress_BC,rotation_BC)
|
|
||||||
use IO, only: &
|
use IO, only: &
|
||||||
IO_error
|
IO_error
|
||||||
use numerics, only: &
|
use numerics, only: &
|
||||||
|
|
@ -265,13 +266,13 @@ type(tSolutionState) function &
|
||||||
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
! input data for solution
|
! input data for solution
|
||||||
real(pReal), intent(in) :: &
|
|
||||||
timeinc, & !< increment in time for current solution
|
|
||||||
timeinc_old !< increment in time of last increment
|
|
||||||
type(tBoundaryCondition), intent(in) :: &
|
|
||||||
stress_BC
|
|
||||||
character(len=*), intent(in) :: &
|
character(len=*), intent(in) :: &
|
||||||
incInfoIn
|
incInfoIn
|
||||||
|
real(pReal), intent(in) :: &
|
||||||
|
timeinc, & !< increment time for current solution
|
||||||
|
timeinc_old !< increment time of last successful increment
|
||||||
|
type(tBoundaryCondition), intent(in) :: &
|
||||||
|
stress_BC
|
||||||
real(pReal), dimension(3,3), intent(in) :: rotation_BC
|
real(pReal), dimension(3,3), intent(in) :: rotation_BC
|
||||||
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
|
|
@ -304,18 +305,17 @@ type(tSolutionState) function &
|
||||||
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
! solve BVP
|
! solve BVP
|
||||||
call SNESSolve(snes,PETSC_NULL_OBJECT,solution_vec,ierr)
|
call SNESSolve(snes,PETSC_NULL_OBJECT,solution_vec,ierr); CHKERRQ(ierr)
|
||||||
CHKERRQ(ierr)
|
|
||||||
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
! check convergence
|
! check convergence
|
||||||
call SNESGetConvergedReason(snes,reason,ierr)
|
call SNESGetConvergedReason(snes,reason,ierr); CHKERRQ(ierr)
|
||||||
CHKERRQ(ierr)
|
|
||||||
|
AL_solution%converged = reason > 0
|
||||||
|
AL_solution%iterationsNeeded = totalIter
|
||||||
AL_solution%termIll = terminallyIll
|
AL_solution%termIll = terminallyIll
|
||||||
terminallyIll = .false.
|
terminallyIll = .false.
|
||||||
if (reason == -4) call IO_error(893_pInt)
|
if (reason == -4) call IO_error(893_pInt) ! MPI error
|
||||||
if (reason < 1) AL_solution%converged = .false.
|
|
||||||
AL_solution%iterationsNeeded = totalIter
|
|
||||||
|
|
||||||
end function AL_solution
|
end function AL_solution
|
||||||
|
|
||||||
|
|
@ -330,8 +330,8 @@ subroutine AL_formResidual(in,x_scal,f_scal,dummy,ierr)
|
||||||
polarAlpha, &
|
polarAlpha, &
|
||||||
polarBeta
|
polarBeta
|
||||||
use mesh, only: &
|
use mesh, only: &
|
||||||
grid3, &
|
grid, &
|
||||||
grid
|
grid3
|
||||||
use IO, only: &
|
use IO, only: &
|
||||||
IO_intOut
|
IO_intOut
|
||||||
use math, only: &
|
use math, only: &
|
||||||
|
|
@ -340,6 +340,10 @@ subroutine AL_formResidual(in,x_scal,f_scal,dummy,ierr)
|
||||||
math_mul3333xx33, &
|
math_mul3333xx33, &
|
||||||
math_invSym3333, &
|
math_invSym3333, &
|
||||||
math_mul33x33
|
math_mul33x33
|
||||||
|
use debug, only: &
|
||||||
|
debug_level, &
|
||||||
|
debug_spectral, &
|
||||||
|
debug_spectralRotation
|
||||||
use spectral_utilities, only: &
|
use spectral_utilities, only: &
|
||||||
wgt, &
|
wgt, &
|
||||||
tensorField_real, &
|
tensorField_real, &
|
||||||
|
|
@ -349,27 +353,17 @@ subroutine AL_formResidual(in,x_scal,f_scal,dummy,ierr)
|
||||||
Utilities_constitutiveResponse, &
|
Utilities_constitutiveResponse, &
|
||||||
Utilities_divergenceRMS, &
|
Utilities_divergenceRMS, &
|
||||||
Utilities_curlRMS
|
Utilities_curlRMS
|
||||||
use debug, only: &
|
|
||||||
debug_level, &
|
|
||||||
debug_spectral, &
|
|
||||||
debug_spectralRotation
|
|
||||||
use homogenization, only: &
|
use homogenization, only: &
|
||||||
materialpoint_dPdF
|
materialpoint_dPdF
|
||||||
use FEsolving, only: &
|
use FEsolving, only: &
|
||||||
terminallyIll
|
terminallyIll
|
||||||
|
|
||||||
implicit none
|
implicit none
|
||||||
!--------------------------------------------------------------------------------------------------
|
DMDALocalInfo, dimension(DMDA_LOCAL_INFO_SIZE) :: in
|
||||||
! strange syntax in the next line because otherwise macros expand beyond 132 character limit
|
PetscScalar, &
|
||||||
DMDALocalInfo, dimension(&
|
target, dimension(3,3,2, XG_RANGE,YG_RANGE,ZG_RANGE), intent(in) :: x_scal !< what is this?
|
||||||
DMDA_LOCAL_INFO_SIZE) :: &
|
PetscScalar, &
|
||||||
in
|
target, dimension(3,3,2, X_RANGE,Y_RANGE,Z_RANGE), intent(out) :: f_scal !< what is this?
|
||||||
PetscScalar, target, dimension(3,3,2, &
|
|
||||||
XG_RANGE,YG_RANGE,ZG_RANGE), intent(in) :: &
|
|
||||||
x_scal
|
|
||||||
PetscScalar, target, dimension(3,3,2, &
|
|
||||||
X_RANGE,Y_RANGE,Z_RANGE), intent(out) :: &
|
|
||||||
f_scal
|
|
||||||
PetscScalar, pointer, dimension(:,:,:,:,:) :: &
|
PetscScalar, pointer, dimension(:,:,:,:,:) :: &
|
||||||
F, &
|
F, &
|
||||||
F_lambda, &
|
F_lambda, &
|
||||||
|
|
@ -392,28 +386,28 @@ subroutine AL_formResidual(in,x_scal,f_scal,dummy,ierr)
|
||||||
F_lambda => x_scal(1:3,1:3,2,&
|
F_lambda => x_scal(1:3,1:3,2,&
|
||||||
XG_RANGE,YG_RANGE,ZG_RANGE)
|
XG_RANGE,YG_RANGE,ZG_RANGE)
|
||||||
residual_F => f_scal(1:3,1:3,1,&
|
residual_F => f_scal(1:3,1:3,1,&
|
||||||
X_RANGE,Y_RANGE,Z_RANGE)
|
X_RANGE, Y_RANGE, Z_RANGE)
|
||||||
residual_F_lambda => f_scal(1:3,1:3,2,&
|
residual_F_lambda => f_scal(1:3,1:3,2,&
|
||||||
X_RANGE,Y_RANGE,Z_RANGE)
|
X_RANGE, Y_RANGE, Z_RANGE)
|
||||||
|
|
||||||
call SNESGetNumberFunctionEvals(snes,nfuncs,ierr); CHKERRQ(ierr)
|
|
||||||
call SNESGetIterationNumber(snes,PETScIter,ierr); CHKERRQ(ierr)
|
|
||||||
|
|
||||||
F_av = sum(sum(sum(F,dim=5),dim=4),dim=3) * wgt
|
F_av = sum(sum(sum(F,dim=5),dim=4),dim=3) * wgt
|
||||||
call MPI_Allreduce(MPI_IN_PLACE,F_av,9,MPI_DOUBLE,MPI_SUM,PETSC_COMM_WORLD,ierr)
|
call MPI_Allreduce(MPI_IN_PLACE,F_av,9,MPI_DOUBLE,MPI_SUM,PETSC_COMM_WORLD,ierr)
|
||||||
|
|
||||||
if(nfuncs== 0 .and. PETScIter == 0) totalIter = -1_pInt ! new increment
|
call SNESGetNumberFunctionEvals(snes,nfuncs,ierr); CHKERRQ(ierr)
|
||||||
newIteration: if(totalIter <= PETScIter) then
|
call SNESGetIterationNumber(snes,PETScIter,ierr); CHKERRQ(ierr)
|
||||||
|
|
||||||
|
if (nfuncs == 0 .and. PETScIter == 0) totalIter = -1_pInt ! new increment
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
! report begin of new iteration
|
! begin of new iteration
|
||||||
|
newIteration: if (totalIter <= PETScIter) then
|
||||||
totalIter = totalIter + 1_pInt
|
totalIter = totalIter + 1_pInt
|
||||||
write(6,'(1x,a,3(a,'//IO_intOut(itmax)//'))') trim(incInfo), &
|
write(6,'(1x,a,3(a,'//IO_intOut(itmax)//'))') &
|
||||||
' @ Iteration ', itmin, '≤',totalIter, '≤', itmax
|
trim(incInfo), ' @ Iteration ', itmin, '≤',totalIter, '≤', itmax
|
||||||
if (iand(debug_level(debug_spectral),debug_spectralRotation) /= 0) &
|
if (iand(debug_level(debug_spectral),debug_spectralRotation) /= 0) &
|
||||||
write(6,'(/,a,/,3(3(f12.7,1x)/))',advance='no') ' deformation gradient aim (lab) =', &
|
write(6,'(/,a,/,3(3(f12.7,1x)/))',advance='no') &
|
||||||
math_transpose33(math_rotate_backward33(F_aim,params%rotation_BC))
|
' deformation gradient aim (lab) =', math_transpose33(math_rotate_backward33(F_aim,params%rotation_BC))
|
||||||
write(6,'(/,a,/,3(3(f12.7,1x)/))',advance='no') ' deformation gradient aim =', &
|
write(6,'(/,a,/,3(3(f12.7,1x)/))',advance='no') &
|
||||||
math_transpose33(F_aim)
|
' deformation gradient aim =', math_transpose33(F_aim)
|
||||||
flush(6)
|
flush(6)
|
||||||
endif newIteration
|
endif newIteration
|
||||||
|
|
||||||
|
|
@ -425,7 +419,6 @@ subroutine AL_formResidual(in,x_scal,f_scal,dummy,ierr)
|
||||||
polarBeta*math_mul3333xx33(C_scale,F(1:3,1:3,i,j,k) - math_I3) -&
|
polarBeta*math_mul3333xx33(C_scale,F(1:3,1:3,i,j,k) - math_I3) -&
|
||||||
polarAlpha*math_mul33x33(F(1:3,1:3,i,j,k), &
|
polarAlpha*math_mul33x33(F(1:3,1:3,i,j,k), &
|
||||||
math_mul3333xx33(C_scale,F_lambda(1:3,1:3,i,j,k) - math_I3))
|
math_mul3333xx33(C_scale,F_lambda(1:3,1:3,i,j,k) - math_I3))
|
||||||
|
|
||||||
enddo; enddo; enddo
|
enddo; enddo; enddo
|
||||||
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
|
|
@ -435,24 +428,23 @@ subroutine AL_formResidual(in,x_scal,f_scal,dummy,ierr)
|
||||||
call utilities_FFTtensorBackward()
|
call utilities_FFTtensorBackward()
|
||||||
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
! constructing residual
|
! constructing F_lambda residual
|
||||||
residual_F_lambda = polarBeta*F - tensorField_real(1:3,1:3,1:grid(1),1:grid(2),1:grid3)
|
residual_F_lambda = polarBeta*F - tensorField_real(1:3,1:3,1:grid(1),1:grid(2),1:grid3) !< eq (16) in doi: 10.1016/j.ijplas.2014.02.006
|
||||||
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
! evaluate constitutive response
|
! evaluate constitutive response
|
||||||
P_avLastEval = P_av
|
P_avLastEval = P_av
|
||||||
call Utilities_constitutiveResponse(F_lastInc,F - residual_F_lambda/polarBeta,params%timeinc, &
|
|
||||||
residual_F,C_volAvg,C_minMaxAvg,P_av,ForwardData,params%rotation_BC)
|
call Utilities_constitutiveResponse(residual_F,P_av,C_volAvg,C_minMaxAvg, &
|
||||||
|
F - residual_F_lambda/polarBeta,params%timeinc, params%rotation_BC)
|
||||||
call MPI_Allreduce(MPI_IN_PLACE,terminallyIll,1,MPI_LOGICAL,MPI_LOR,PETSC_COMM_WORLD,ierr)
|
call MPI_Allreduce(MPI_IN_PLACE,terminallyIll,1,MPI_LOGICAL,MPI_LOR,PETSC_COMM_WORLD,ierr)
|
||||||
ForwardData = .False.
|
|
||||||
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
! calculate divergence
|
! calculate divergence
|
||||||
tensorField_real = 0.0_pReal
|
tensorField_real = 0.0_pReal
|
||||||
tensorField_real(1:3,1:3,1:grid(1),1:grid(2),1:grid3) = residual_F
|
tensorField_real(1:3,1:3,1:grid(1),1:grid(2),1:grid3) = residual_F !< stress field in disguise
|
||||||
call utilities_FFTtensorForward()
|
call utilities_FFTtensorForward()
|
||||||
err_div = Utilities_divergenceRMS()
|
err_div = Utilities_divergenceRMS() !< root mean squared error in divergence of stress
|
||||||
call utilities_FFTtensorBackward()
|
|
||||||
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
! constructing residual
|
! constructing residual
|
||||||
|
|
@ -463,7 +455,7 @@ subroutine AL_formResidual(in,x_scal,f_scal,dummy,ierr)
|
||||||
residual_F(1:3,1:3,i,j,k) - &
|
residual_F(1:3,1:3,i,j,k) - &
|
||||||
math_mul33x33(F(1:3,1:3,i,j,k), &
|
math_mul33x33(F(1:3,1:3,i,j,k), &
|
||||||
math_mul3333xx33(C_scale,F_lambda(1:3,1:3,i,j,k) - math_I3))) &
|
math_mul3333xx33(C_scale,F_lambda(1:3,1:3,i,j,k) - math_I3))) &
|
||||||
+ residual_F_lambda(1:3,1:3,i,j,k)
|
+ residual_F_lambda(1:3,1:3,i,j,k) !< eq (16) in doi: 10.1016/j.ijplas.2014.02.006
|
||||||
enddo; enddo; enddo
|
enddo; enddo; enddo
|
||||||
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
|
|
@ -472,8 +464,11 @@ subroutine AL_formResidual(in,x_scal,f_scal,dummy,ierr)
|
||||||
tensorField_real(1:3,1:3,1:grid(1),1:grid(2),1:grid3) = F
|
tensorField_real(1:3,1:3,1:grid(1),1:grid(2),1:grid3) = F
|
||||||
call utilities_FFTtensorForward()
|
call utilities_FFTtensorForward()
|
||||||
err_curl = Utilities_curlRMS()
|
err_curl = Utilities_curlRMS()
|
||||||
call utilities_FFTtensorBackward()
|
|
||||||
|
|
||||||
|
nullify(F)
|
||||||
|
nullify(F_lambda)
|
||||||
|
nullify(residual_F)
|
||||||
|
nullify(residual_F_lambda)
|
||||||
end subroutine AL_formResidual
|
end subroutine AL_formResidual
|
||||||
|
|
||||||
|
|
||||||
|
|
@ -488,8 +483,8 @@ subroutine AL_converged(snes_local,PETScIter,xnorm,snorm,fnorm,reason,dummy,ierr
|
||||||
err_div_tolAbs, &
|
err_div_tolAbs, &
|
||||||
err_curl_tolRel, &
|
err_curl_tolRel, &
|
||||||
err_curl_tolAbs, &
|
err_curl_tolAbs, &
|
||||||
err_stress_tolAbs, &
|
err_stress_tolRel, &
|
||||||
err_stress_tolRel
|
err_stress_tolAbs
|
||||||
use math, only: &
|
use math, only: &
|
||||||
math_mul3333xx33
|
math_mul3333xx33
|
||||||
use FEsolving, only: &
|
use FEsolving, only: &
|
||||||
|
|
@ -508,24 +503,24 @@ subroutine AL_converged(snes_local,PETScIter,xnorm,snorm,fnorm,reason,dummy,ierr
|
||||||
real(pReal) :: &
|
real(pReal) :: &
|
||||||
curlTol, &
|
curlTol, &
|
||||||
divTol, &
|
divTol, &
|
||||||
BC_tol
|
BCTol
|
||||||
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
! stress BC handling
|
! stress BC handling
|
||||||
F_aim = F_aim - math_mul3333xx33(S, ((P_av - params%stress_BC))) ! S = 0.0 for no bc
|
F_aim = F_aim - math_mul3333xx33(S, ((P_av - params%stress_BC))) ! S = 0.0 for no bc
|
||||||
err_BC = maxval(abs((-mask_stress+1.0_pReal)*math_mul3333xx33(C_scale,F_aim-F_av) + &
|
err_BC = maxval(abs((1.0_pReal-mask_stress) * math_mul3333xx33(C_scale,F_aim-F_av) + &
|
||||||
mask_stress *(P_av - params%stress_BC))) ! mask = 0.0 for no bc
|
mask_stress * (P_av-params%stress_BC))) ! mask = 0.0 for no bc
|
||||||
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
! error calculation
|
! error calculation
|
||||||
curlTol = max(maxval(abs(F_aim-math_I3))*err_curl_tolRel,err_curl_tolAbs)
|
curlTol = max(maxval(abs(F_aim-math_I3))*err_curl_tolRel ,err_curl_tolAbs)
|
||||||
divTol = max(maxval(abs(P_av)) *err_div_tolRel,err_div_tolAbs)
|
divTol = max(maxval(abs(P_av)) *err_div_tolRel ,err_div_tolAbs)
|
||||||
BC_tol = max(maxval(abs(P_av)) *err_stress_tolrel,err_stress_tolabs)
|
BCTol = max(maxval(abs(P_av)) *err_stress_tolRel,err_stress_tolAbs)
|
||||||
|
|
||||||
converged: if ((totalIter >= itmin .and. &
|
converged: if ((totalIter >= itmin .and. &
|
||||||
all([ err_div/divTol, &
|
all([ err_div /divTol, &
|
||||||
err_curl/curlTol, &
|
err_curl/curlTol, &
|
||||||
err_BC/BC_tol ] < 1.0_pReal)) &
|
err_BC /BCTol ] < 1.0_pReal)) &
|
||||||
.or. terminallyIll) then
|
.or. terminallyIll) then
|
||||||
reason = 1
|
reason = 1
|
||||||
elseif (totalIter >= itmax) then converged
|
elseif (totalIter >= itmax) then converged
|
||||||
|
|
@ -537,12 +532,12 @@ subroutine AL_converged(snes_local,PETScIter,xnorm,snorm,fnorm,reason,dummy,ierr
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
! report
|
! report
|
||||||
write(6,'(1/,a)') ' ... reporting .............................................................'
|
write(6,'(1/,a)') ' ... reporting .............................................................'
|
||||||
write(6,'(/,a,f12.2,a,es8.2,a,es9.2,a)') ' error curl = ', &
|
write(6,'(/,a,f12.2,a,es8.2,a,es9.2,a)') ' error divergence = ', &
|
||||||
err_curl/curlTol,' (',err_curl,' -, tol =',curlTol,')'
|
err_div/divTol, ' (',err_div, ' / m, tol = ',divTol,')'
|
||||||
write(6,' (a,f12.2,a,es8.2,a,es9.2,a)') ' error divergence = ', &
|
write(6, '(a,f12.2,a,es8.2,a,es9.2,a)') ' error curl = ', &
|
||||||
err_div/divTol, ' (',err_div, ' / m, tol =',divTol,')'
|
err_curl/curlTol,' (',err_curl,' -, tol = ',curlTol,')'
|
||||||
write(6,' (a,f12.2,a,es8.2,a,es9.2,a)') ' error BC = ', &
|
write(6, '(a,f12.2,a,es8.2,a,es9.2,a)') ' error BC = ', &
|
||||||
err_BC/BC_tol, ' (',err_BC, ' Pa, tol =',BC_tol,')'
|
err_BC/BCTol, ' (',err_BC, ' Pa, tol = ',BCTol,')'
|
||||||
write(6,'(/,a)') ' ==========================================================================='
|
write(6,'(/,a)') ' ==========================================================================='
|
||||||
flush(6)
|
flush(6)
|
||||||
|
|
||||||
|
|
@ -550,6 +545,8 @@ end subroutine AL_converged
|
||||||
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
!> @brief forwarding routine
|
!> @brief forwarding routine
|
||||||
|
!> @details find new boundary conditions and best F estimate for end of current timestep
|
||||||
|
!> possibly writing restart information, triggering of state increment in DAMASK, and updating of IPcoordinates
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
subroutine AL_forward(guess,timeinc,timeinc_old,loadCaseTime,deformation_BC,stress_BC,rotation_BC)
|
subroutine AL_forward(guess,timeinc,timeinc_old,loadCaseTime,deformation_BC,stress_BC,rotation_BC)
|
||||||
use math, only: &
|
use math, only: &
|
||||||
|
|
@ -559,9 +556,13 @@ subroutine AL_forward(guess,timeinc,timeinc_old,loadCaseTime,deformation_BC,stre
|
||||||
math_rotate_backward33
|
math_rotate_backward33
|
||||||
use numerics, only: &
|
use numerics, only: &
|
||||||
worldrank
|
worldrank
|
||||||
|
use homogenization, only: &
|
||||||
|
materialpoint_F0
|
||||||
use mesh, only: &
|
use mesh, only: &
|
||||||
grid3, &
|
grid, &
|
||||||
grid
|
grid3
|
||||||
|
use CPFEM2, only: &
|
||||||
|
CPFEM_age
|
||||||
use spectral_utilities, only: &
|
use spectral_utilities, only: &
|
||||||
Utilities_calculateRate, &
|
Utilities_calculateRate, &
|
||||||
Utilities_forwardField, &
|
Utilities_forwardField, &
|
||||||
|
|
@ -574,6 +575,8 @@ subroutine AL_forward(guess,timeinc,timeinc_old,loadCaseTime,deformation_BC,stre
|
||||||
restartWrite
|
restartWrite
|
||||||
|
|
||||||
implicit none
|
implicit none
|
||||||
|
logical, intent(in) :: &
|
||||||
|
guess
|
||||||
real(pReal), intent(in) :: &
|
real(pReal), intent(in) :: &
|
||||||
timeinc_old, &
|
timeinc_old, &
|
||||||
timeinc, &
|
timeinc, &
|
||||||
|
|
@ -581,98 +584,102 @@ subroutine AL_forward(guess,timeinc,timeinc_old,loadCaseTime,deformation_BC,stre
|
||||||
type(tBoundaryCondition), intent(in) :: &
|
type(tBoundaryCondition), intent(in) :: &
|
||||||
stress_BC, &
|
stress_BC, &
|
||||||
deformation_BC
|
deformation_BC
|
||||||
real(pReal), dimension(3,3), intent(in) :: rotation_BC
|
real(pReal), dimension(3,3), intent(in) ::&
|
||||||
logical, intent(in) :: &
|
rotation_BC
|
||||||
guess
|
|
||||||
PetscErrorCode :: ierr
|
PetscErrorCode :: ierr
|
||||||
PetscScalar, dimension(:,:,:,:), pointer :: xx_psc, F, F_lambda
|
PetscScalar, dimension(:,:,:,:), pointer :: FandF_lambda, F, F_lambda
|
||||||
integer(pInt) :: i, j, k
|
integer(pInt) :: i, j, k
|
||||||
real(pReal), dimension(3,3) :: F_lambda33
|
real(pReal), dimension(3,3) :: F_lambda33
|
||||||
character(len=1024) :: rankStr
|
character(len=32) :: rankStr
|
||||||
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
! update coordinates and rate and forward last inc
|
! update coordinates and rate and forward last inc
|
||||||
call DMDAVecGetArrayF90(da,solution_vec,xx_psc,ierr)
|
call DMDAVecGetArrayF90(da,solution_vec,FandF_lambda,ierr); CHKERRQ(ierr)
|
||||||
F => xx_psc(0:8,:,:,:)
|
F => FandF_lambda( 0: 8,:,:,:)
|
||||||
F_lambda => xx_psc(9:17,:,:,:)
|
F_lambda => FandF_lambda( 9:17,:,:,:)
|
||||||
if (restartWrite) then
|
|
||||||
write(6,'(/,a)') ' writing converged results for restart'
|
|
||||||
flush(6)
|
|
||||||
write(rankStr,'(a1,i0)')'_',worldrank
|
|
||||||
call IO_write_jobRealFile(777,'F'//trim(rankStr),size(F)) ! writing deformation gradient field to file
|
|
||||||
write (777,rec=1) F
|
|
||||||
close (777)
|
|
||||||
call IO_write_jobRealFile(777,'F_lastInc'//trim(rankStr),size(F_lastInc)) ! writing F_lastInc field to file
|
|
||||||
write (777,rec=1) F_lastInc
|
|
||||||
close (777)
|
|
||||||
call IO_write_jobRealFile(777,'F_lambda'//trim(rankStr),size(F_lambda)) ! writing deformation gradient field to file
|
|
||||||
write (777,rec=1) F_lambda
|
|
||||||
close (777)
|
|
||||||
call IO_write_jobRealFile(777,'F_lambda_lastInc'//trim(rankStr),size(F_lambda_lastInc)) ! writing F_lastInc field to file
|
|
||||||
write (777,rec=1) F_lambda_lastInc
|
|
||||||
close (777)
|
|
||||||
if (worldrank == 0_pInt) then
|
|
||||||
call IO_write_jobRealFile(777,'F_aim',size(F_aim))
|
|
||||||
write (777,rec=1) F_aim
|
|
||||||
close(777)
|
|
||||||
call IO_write_jobRealFile(777,'F_aim_lastInc',size(F_aim_lastInc))
|
|
||||||
write (777,rec=1) F_aim_lastInc
|
|
||||||
close(777)
|
|
||||||
call IO_write_jobRealFile(777,'F_aimDot',size(F_aimDot))
|
|
||||||
write (777,rec=1) F_aimDot
|
|
||||||
close(777)
|
|
||||||
call IO_write_jobRealFile(777,'C_volAvg',size(C_volAvg))
|
|
||||||
write (777,rec=1) C_volAvg
|
|
||||||
close(777)
|
|
||||||
call IO_write_jobRealFile(777,'C_volAvgLastInc',size(C_volAvgLastInc))
|
|
||||||
write (777,rec=1) C_volAvgLastInc
|
|
||||||
close(777)
|
|
||||||
endif
|
|
||||||
endif
|
|
||||||
|
|
||||||
call utilities_updateIPcoords(F)
|
|
||||||
|
|
||||||
if (cutBack) then
|
if (cutBack) then
|
||||||
F_aim = F_aim_lastInc
|
C_volAvg = C_volAvgLastInc ! QUESTION: where is this required?
|
||||||
F_lambda = reshape(F_lambda_lastInc,[9,grid(1),grid(2),grid3])
|
C_minMaxAvg = C_minMaxAvgLastInc ! QUESTION: where is this required?
|
||||||
F = reshape(F_lastInc, [9,grid(1),grid(2),grid3])
|
|
||||||
C_volAvg = C_volAvgLastInc
|
|
||||||
else
|
else
|
||||||
ForwardData = .True.
|
!--------------------------------------------------------------------------------------------------
|
||||||
C_volAvgLastInc = C_volAvg
|
! restart information for spectral solver
|
||||||
!--------------------------------------------------------------------------------------------------
|
if (restartWrite) then ! QUESTION: where is this logical properly set?
|
||||||
! calculate rate for aim
|
write(6,'(/,a)') ' writing converged results for restart'
|
||||||
if (deformation_BC%myType=='l') then ! calculate f_aimDot from given L and current F
|
flush(6)
|
||||||
f_aimDot = deformation_BC%maskFloat * math_mul33x33(deformation_BC%values, F_aim)
|
|
||||||
elseif(deformation_BC%myType=='fdot') then ! f_aimDot is prescribed
|
|
||||||
f_aimDot = deformation_BC%maskFloat * deformation_BC%values
|
|
||||||
elseif(deformation_BC%myType=='f') then ! aim at end of load case is prescribed
|
|
||||||
f_aimDot = deformation_BC%maskFloat * (deformation_BC%values -F_aim)/loadCaseTime
|
|
||||||
endif
|
|
||||||
if (guess) f_aimDot = f_aimDot + stress_BC%maskFloat * (F_aim - F_aim_lastInc)/timeinc_old
|
|
||||||
F_aim_lastInc = F_aim
|
|
||||||
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
if (worldrank == 0_pInt) then
|
||||||
! update coordinates and rate and forward last inc
|
call IO_write_jobRealFile(777,'C_volAvg',size(C_volAvg))
|
||||||
|
write (777,rec=1) C_volAvg; close(777)
|
||||||
|
call IO_write_jobRealFile(777,'C_volAvgLastInc',size(C_volAvgLastInc))
|
||||||
|
write (777,rec=1) C_volAvgLastInc; close(777)
|
||||||
|
! call IO_write_jobRealFile(777,'C_minMaxAvg',size(C_volAvg))
|
||||||
|
! write (777,rec=1) C_minMaxAvg; close(777)
|
||||||
|
! call IO_write_jobRealFile(777,'C_minMaxAvgLastInc',size(C_volAvgLastInc))
|
||||||
|
! write (777,rec=1) C_minMaxAvgLastInc; close(777)
|
||||||
|
call IO_write_jobRealFile(777,'F_aimDot',size(F_aimDot))
|
||||||
|
write (777,rec=1) F_aimDot; close(777)
|
||||||
|
endif
|
||||||
|
|
||||||
|
write(rankStr,'(a1,i0)')'_',worldrank
|
||||||
|
call IO_write_jobRealFile(777,'F'//trim(rankStr),size(F)) ! writing deformation gradient field to file
|
||||||
|
write (777,rec=1) F; close (777)
|
||||||
|
call IO_write_jobRealFile(777,'F_lastInc'//trim(rankStr),size(F_lastInc)) ! writing F_lastInc field to file
|
||||||
|
write (777,rec=1) F_lastInc; close (777)
|
||||||
|
call IO_write_jobRealFile(777,'F_lambda'//trim(rankStr),size(F_lambda)) ! writing deformation gradient field to file
|
||||||
|
write (777,rec=1) F_lambda; close (777)
|
||||||
|
call IO_write_jobRealFile(777,'F_lambda_lastInc'//trim(rankStr),size(F_lambda_lastInc)) ! writing F_lastInc field to file
|
||||||
|
write (777,rec=1) F_lambda_lastInc; close (777)
|
||||||
|
endif
|
||||||
|
|
||||||
|
call CPFEM_age() ! age state and kinematics
|
||||||
call utilities_updateIPcoords(F)
|
call utilities_updateIPcoords(F)
|
||||||
Fdot = Utilities_calculateRate(math_rotate_backward33(f_aimDot,rotation_BC), &
|
|
||||||
timeinc_old,guess,F_lastInc,reshape(F,[3,3,grid(1),grid(2),grid3]))
|
C_volAvgLastInc = C_volAvg
|
||||||
F_lambdaDot = Utilities_calculateRate(math_rotate_backward33(f_aimDot,rotation_BC), &
|
C_minMaxAvgLastInc = C_minMaxAvg
|
||||||
timeinc_old,guess,F_lambda_lastInc,reshape(F_lambda,[3,3,grid(1),grid(2),grid3]))
|
|
||||||
F_lastInc = reshape(F, [3,3,grid(1),grid(2),grid3])
|
if (guess) then ! QUESTION: better with a = L ? x:y
|
||||||
F_lambda_lastInc = reshape(F_lambda,[3,3,grid(1),grid(2),grid3])
|
F_aimDot = stress_BC%maskFloat * (F_aim - F_aim_lastInc)/timeinc_old ! initialize with correction based on last inc
|
||||||
|
else
|
||||||
|
F_aimDot = 0.0_pReal
|
||||||
|
endif
|
||||||
|
F_aim_lastInc = F_aim
|
||||||
|
!--------------------------------------------------------------------------------------------------
|
||||||
|
! calculate rate for aim
|
||||||
|
if (deformation_BC%myType=='l') then ! calculate F_aimDot from given L and current F
|
||||||
|
F_aimDot = &
|
||||||
|
F_aimDot + deformation_BC%maskFloat * math_mul33x33(deformation_BC%values, F_aim_lastInc)
|
||||||
|
elseif(deformation_BC%myType=='fdot') then ! F_aimDot is prescribed
|
||||||
|
F_aimDot = &
|
||||||
|
F_aimDot + deformation_BC%maskFloat * deformation_BC%values
|
||||||
|
elseif (deformation_BC%myType=='f') then ! aim at end of load case is prescribed
|
||||||
|
F_aimDot = &
|
||||||
|
F_aimDot + deformation_BC%maskFloat * (deformation_BC%values - F_aim_lastInc)/loadCaseTime
|
||||||
endif
|
endif
|
||||||
|
|
||||||
F_aim = F_aim + f_aimDot * timeinc
|
|
||||||
|
Fdot = Utilities_calculateRate(guess, &
|
||||||
|
F_lastInc,reshape(F,[3,3,grid(1),grid(2),grid3]),timeinc_old, &
|
||||||
|
math_rotate_backward33(F_aimDot,rotation_BC))
|
||||||
|
F_lambdaDot = Utilities_calculateRate(guess, &
|
||||||
|
F_lambda_lastInc,reshape(F_lambda,[3,3,grid(1),grid(2),grid3]), timeinc_old, &
|
||||||
|
math_rotate_backward33(F_aimDot,rotation_BC))
|
||||||
|
F_lastInc = reshape(F, [3,3,grid(1),grid(2),grid3]) ! winding F forward
|
||||||
|
F_lambda_lastInc = reshape(F_lambda, [3,3,grid(1),grid(2),grid3]) ! winding F_lambda forward
|
||||||
|
materialpoint_F0 = reshape(F_lastInc, [3,3,1,product(grid(1:2))*grid3]) ! set starting condition for materialpoint_stressAndItsTangent
|
||||||
|
endif
|
||||||
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
! update local deformation gradient
|
! update average and local deformation gradients
|
||||||
F = reshape(Utilities_forwardField(timeinc,F_lastInc,Fdot, & ! ensure that it matches rotated F_aim
|
F_aim = F_aim_lastInc + F_aimDot * timeinc
|
||||||
math_rotate_backward33(F_aim,rotation_BC)), &
|
|
||||||
|
F = reshape(Utilities_forwardField(timeinc,F_lastInc,Fdot, & ! estimate of F at end of time+timeinc that matches rotated F_aim on average
|
||||||
|
math_rotate_backward33(F_aim,rotation_BC)),&
|
||||||
[9,grid(1),grid(2),grid3])
|
[9,grid(1),grid(2),grid3])
|
||||||
|
if (guess) then
|
||||||
F_lambda = reshape(Utilities_forwardField(timeinc,F_lambda_lastInc,F_lambdadot), &
|
F_lambda = reshape(Utilities_forwardField(timeinc,F_lambda_lastInc,F_lambdadot), &
|
||||||
[9,grid(1),grid(2),grid3]) ! does not have any average value as boundary condition
|
[9,grid(1),grid(2),grid3]) ! does not have any average value as boundary condition
|
||||||
if (.not. guess) then ! large strain forwarding
|
else
|
||||||
do k = 1_pInt, grid3; do j = 1_pInt, grid(2); do i = 1_pInt, grid(1)
|
do k = 1_pInt, grid3; do j = 1_pInt, grid(2); do i = 1_pInt, grid(1)
|
||||||
F_lambda33 = reshape(F_lambda(1:9,i,j,k),[3,3])
|
F_lambda33 = reshape(F_lambda(1:9,i,j,k),[3,3])
|
||||||
F_lambda33 = math_mul3333xx33(S_scale,math_mul33x33(F_lambda33, &
|
F_lambda33 = math_mul3333xx33(S_scale,math_mul33x33(F_lambda33, &
|
||||||
|
|
@ -683,7 +690,10 @@ subroutine AL_forward(guess,timeinc,timeinc_old,loadCaseTime,deformation_BC,stre
|
||||||
F_lambda(1:9,i,j,k) = reshape(F_lambda33,[9])
|
F_lambda(1:9,i,j,k) = reshape(F_lambda33,[9])
|
||||||
enddo; enddo; enddo
|
enddo; enddo; enddo
|
||||||
endif
|
endif
|
||||||
call DMDAVecRestoreArrayF90(da,solution_vec,xx_psc,ierr); CHKERRQ(ierr)
|
|
||||||
|
nullify(F)
|
||||||
|
nullify(F_lambda)
|
||||||
|
call DMDAVecRestoreArrayF90(da,solution_vec,FandF_lambda,ierr); CHKERRQ(ierr)
|
||||||
|
|
||||||
end subroutine AL_forward
|
end subroutine AL_forward
|
||||||
|
|
||||||
|
|
|
||||||
|
|
@ -38,21 +38,27 @@ module spectral_mech_basic
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
! stress, stiffness and compliance average etc.
|
! stress, stiffness and compliance average etc.
|
||||||
real(pReal), private, dimension(3,3) :: &
|
real(pReal), private, dimension(3,3) :: &
|
||||||
F_aim = math_I3, &
|
F_aimDot = 0.0_pReal, & !< assumed rate of average deformation gradient
|
||||||
F_aim_lastIter = math_I3, &
|
F_aim = math_I3, & !< current prescribed deformation gradient
|
||||||
F_aim_lastInc = math_I3, &
|
F_aim_lastInc = math_I3, & !< previous average deformation gradient
|
||||||
P_av = 0.0_pReal, &
|
P_av = 0.0_pReal !< average 1st Piola--Kirchhoff stress
|
||||||
F_aimDot=0.0_pReal
|
|
||||||
character(len=1024), private :: incInfo
|
character(len=1024), private :: incInfo !< time and increment information
|
||||||
|
|
||||||
real(pReal), private, dimension(3,3,3,3) :: &
|
real(pReal), private, dimension(3,3,3,3) :: &
|
||||||
C_volAvg = 0.0_pReal, & !< current volume average stiffness
|
C_volAvg = 0.0_pReal, & !< current volume average stiffness
|
||||||
C_volAvgLastInc = 0.0_pReal, & !< previous volume average stiffness
|
C_volAvgLastInc = 0.0_pReal, & !< previous volume average stiffness
|
||||||
C_minMaxAvg = 0.0_pReal, & !< current (min+max)/2 stiffness
|
C_minMaxAvg = 0.0_pReal, & !< current (min+max)/2 stiffness
|
||||||
|
C_minMaxAvgLastInc = 0.0_pReal, & !< previous (min+max)/2 stiffness
|
||||||
S = 0.0_pReal !< current compliance (filled up with zeros)
|
S = 0.0_pReal !< current compliance (filled up with zeros)
|
||||||
real(pReal), private :: err_stress, err_div
|
|
||||||
logical, private :: ForwardData
|
real(pReal), private :: &
|
||||||
|
err_BC, & !< deviation from stress BC
|
||||||
|
err_div !< RMS of div of P
|
||||||
|
|
||||||
integer(pInt), private :: &
|
integer(pInt), private :: &
|
||||||
totalIter = 0_pInt !< total iteration in current increment
|
totalIter = 0_pInt !< total iteration in current increment
|
||||||
|
|
||||||
real(pReal), private, dimension(3,3) :: mask_stress = 0.0_pReal
|
real(pReal), private, dimension(3,3) :: mask_stress = 0.0_pReal
|
||||||
|
|
||||||
public :: &
|
public :: &
|
||||||
|
|
@ -69,7 +75,7 @@ module spectral_mech_basic
|
||||||
contains
|
contains
|
||||||
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
!> @brief allocates all neccessary fields and fills them with data, potentially from restart info
|
!> @brief allocates all necessary fields and fills them with data, potentially from restart info
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
subroutine basicPETSc_init
|
subroutine basicPETSc_init
|
||||||
#if defined(__GFORTRAN__) || __INTEL_COMPILER >= 1800
|
#if defined(__GFORTRAN__) || __INTEL_COMPILER >= 1800
|
||||||
|
|
@ -90,6 +96,8 @@ subroutine basicPETSc_init
|
||||||
use numerics, only: &
|
use numerics, only: &
|
||||||
worldrank, &
|
worldrank, &
|
||||||
worldsize
|
worldsize
|
||||||
|
use homogenization, only: &
|
||||||
|
materialpoint_F0
|
||||||
use DAMASK_interface, only: &
|
use DAMASK_interface, only: &
|
||||||
getSolverJobName
|
getSolverJobName
|
||||||
use spectral_utilities, only: &
|
use spectral_utilities, only: &
|
||||||
|
|
@ -152,11 +160,10 @@ subroutine basicPETSc_init
|
||||||
grid(1),grid(2),localK, & ! local grid
|
grid(1),grid(2),localK, & ! local grid
|
||||||
da,ierr) ! handle, error
|
da,ierr) ! handle, error
|
||||||
CHKERRQ(ierr)
|
CHKERRQ(ierr)
|
||||||
call SNESSetDM(snes,da,ierr); CHKERRQ(ierr)
|
call SNESSetDM(snes,da,ierr); CHKERRQ(ierr) ! connect snes to da
|
||||||
call DMCreateGlobalVector(da,solution_vec,ierr); CHKERRQ(ierr) ! global solution vector (grid x 9, i.e. every def grad tensor)
|
call DMCreateGlobalVector(da,solution_vec,ierr); CHKERRQ(ierr) ! global solution vector (grid x 9, i.e. every def grad tensor)
|
||||||
call DMDASNESSetFunctionLocal(da,INSERT_VALUES,BasicPETSC_formResidual,PETSC_NULL_OBJECT,ierr) ! residual vector of same shape as solution vector
|
call DMDASNESSetFunctionLocal(da,INSERT_VALUES,BasicPETSC_formResidual,PETSC_NULL_OBJECT,ierr) ! residual vector of same shape as solution vector
|
||||||
CHKERRQ(ierr)
|
CHKERRQ(ierr)
|
||||||
call SNESSetDM(snes,da,ierr); CHKERRQ(ierr) ! connect snes to da
|
|
||||||
call SNESSetConvergenceTest(snes,BasicPETSC_converged,PETSC_NULL_OBJECT,PETSC_NULL_FUNCTION,ierr) ! specify custom convergence check function "_converged"
|
call SNESSetConvergenceTest(snes,BasicPETSC_converged,PETSC_NULL_OBJECT,PETSC_NULL_FUNCTION,ierr) ! specify custom convergence check function "_converged"
|
||||||
CHKERRQ(ierr)
|
CHKERRQ(ierr)
|
||||||
call SNESSetFromOptions(snes,ierr); CHKERRQ(ierr) ! pull it all together with additional cli arguments
|
call SNESSetFromOptions(snes,ierr); CHKERRQ(ierr) ! pull it all together with additional cli arguments
|
||||||
|
|
@ -165,63 +172,56 @@ subroutine basicPETSc_init
|
||||||
! init fields
|
! init fields
|
||||||
call DMDAVecGetArrayF90(da,solution_vec,F,ierr); CHKERRQ(ierr) ! get the data out of PETSc to work with
|
call DMDAVecGetArrayF90(da,solution_vec,F,ierr); CHKERRQ(ierr) ! get the data out of PETSc to work with
|
||||||
|
|
||||||
restart: if (restartInc > 1_pInt) then
|
restart: if (restartInc > 0_pInt) then
|
||||||
if (iand(debug_level(debug_spectral),debug_spectralRestart)/= 0) &
|
if (iand(debug_level(debug_spectral),debug_spectralRestart) /= 0) then
|
||||||
write(6,'(/,a,'//IO_intOut(restartInc-1_pInt)//',a)') &
|
write(6,'(/,a,'//IO_intOut(restartInc)//',a)') &
|
||||||
'reading values of increment ', restartInc - 1_pInt, ' from file'
|
'reading values of increment ', restartInc, ' from file'
|
||||||
flush(6)
|
flush(6)
|
||||||
|
endif
|
||||||
write(rankStr,'(a1,i0)')'_',worldrank
|
write(rankStr,'(a1,i0)')'_',worldrank
|
||||||
call IO_read_realFile(777,'F'//trim(rankStr),trim(getSolverJobName()),size(F))
|
call IO_read_realFile(777,'F'//trim(rankStr),trim(getSolverJobName()),size(F))
|
||||||
read (777,rec=1) F
|
read (777,rec=1) F; close (777)
|
||||||
close (777)
|
|
||||||
call IO_read_realFile(777,'F_lastInc'//trim(rankStr),trim(getSolverJobName()),size(F_lastInc))
|
call IO_read_realFile(777,'F_lastInc'//trim(rankStr),trim(getSolverJobName()),size(F_lastInc))
|
||||||
read (777,rec=1) F_lastInc
|
read (777,rec=1) F_lastInc; close (777)
|
||||||
close (777)
|
call IO_read_realFile(777,'F_aimDot',trim(getSolverJobName()),size(F_aimDot))
|
||||||
call IO_read_realFile(777,'F_aimDot',trim(getSolverJobName()),size(f_aimDot))
|
read (777,rec=1) F_aimDot; close (777)
|
||||||
read (777,rec=1) f_aimDot
|
|
||||||
close (777)
|
|
||||||
F_aim = reshape(sum(sum(sum(F,dim=4),dim=3),dim=2) * wgt, [3,3]) ! average of F
|
F_aim = reshape(sum(sum(sum(F,dim=4),dim=3),dim=2) * wgt, [3,3]) ! average of F
|
||||||
F_aim_lastInc = sum(sum(sum(F_lastInc,dim=5),dim=4),dim=3) * wgt ! average of F_lastInc
|
F_aim_lastInc = sum(sum(sum(F_lastInc,dim=5),dim=4),dim=3) * wgt ! average of F_lastInc
|
||||||
elseif (restartInc == 1_pInt) then restart
|
elseif (restartInc == 0_pInt) then restart
|
||||||
F_lastInc = spread(spread(spread(math_I3,3,grid(1)),4,grid(2)),5,grid3) ! initialize to identity
|
F_lastInc = spread(spread(spread(math_I3,3,grid(1)),4,grid(2)),5,grid3) ! initialize to identity
|
||||||
F = reshape(F_lastInc,[9,grid(1),grid(2),grid3])
|
F = reshape(F_lastInc,[9,grid(1),grid(2),grid3])
|
||||||
endif restart
|
endif restart
|
||||||
|
|
||||||
|
materialpoint_F0 = reshape(F_lastInc, [3,3,1,product(grid(1:2))*grid3]) ! set starting condition for materialpoint_stressAndItsTangent
|
||||||
call Utilities_updateIPcoords(reshape(F,shape(F_lastInc)))
|
call Utilities_updateIPcoords(reshape(F,shape(F_lastInc)))
|
||||||
call Utilities_constitutiveResponse(F_lastInc, reshape(F,shape(F_lastInc)), &
|
call Utilities_constitutiveResponse(P,temp33_Real,C_volAvg,C_minMaxAvg, & ! stress field, stress avg, global average of stiffness and (min+max)/2
|
||||||
0.0_pReal, &
|
reshape(F,shape(F_lastInc)), & ! target F
|
||||||
P, &
|
0.0_pReal, & ! time increment
|
||||||
C_volAvg,C_minMaxAvg, & ! global average of stiffness and (min+max)/2
|
math_I3) ! no rotation of boundary condition
|
||||||
temp33_Real, &
|
|
||||||
.false., &
|
|
||||||
math_I3)
|
|
||||||
call DMDAVecRestoreArrayF90(da,solution_vec,F,ierr); CHKERRQ(ierr) ! write data back to PETSc
|
call DMDAVecRestoreArrayF90(da,solution_vec,F,ierr); CHKERRQ(ierr) ! write data back to PETSc
|
||||||
|
! QUESTION: why not writing back right after reading (l.189)?
|
||||||
|
|
||||||
restartRead: if (restartInc > 1_pInt) then
|
restartRead: if (restartInc > 0_pInt) then ! QUESTION: are those values not calc'ed by constitutiveResponse? why reading from file?
|
||||||
if (iand(debug_level(debug_spectral),debug_spectralRestart)/= 0 .and. worldrank == 0_pInt) &
|
if (iand(debug_level(debug_spectral),debug_spectralRestart) /= 0 .and. worldrank == 0_pInt) &
|
||||||
write(6,'(/,a,'//IO_intOut(restartInc-1_pInt)//',a)') &
|
write(6,'(/,a,'//IO_intOut(restartInc)//',a)') &
|
||||||
'reading more values of increment', restartInc - 1_pInt, 'from file'
|
'reading more values of increment ', restartInc, ' from file'
|
||||||
flush(6)
|
flush(6)
|
||||||
call IO_read_realFile(777,'C_volAvg',trim(getSolverJobName()),size(C_volAvg))
|
call IO_read_realFile(777,'C_volAvg',trim(getSolverJobName()),size(C_volAvg))
|
||||||
read (777,rec=1) C_volAvg
|
read (777,rec=1) C_volAvg; close (777)
|
||||||
close (777)
|
|
||||||
call IO_read_realFile(777,'C_volAvgLastInc',trim(getSolverJobName()),size(C_volAvgLastInc))
|
call IO_read_realFile(777,'C_volAvgLastInc',trim(getSolverJobName()),size(C_volAvgLastInc))
|
||||||
read (777,rec=1) C_volAvgLastInc
|
read (777,rec=1) C_volAvgLastInc; close (777)
|
||||||
close (777)
|
|
||||||
call IO_read_realFile(777,'C_ref',trim(getSolverJobName()),size(C_minMaxAvg))
|
call IO_read_realFile(777,'C_ref',trim(getSolverJobName()),size(C_minMaxAvg))
|
||||||
read (777,rec=1) C_minMaxAvg
|
read (777,rec=1) C_minMaxAvg; close (777)
|
||||||
close (777)
|
|
||||||
endif restartRead
|
endif restartRead
|
||||||
|
|
||||||
call Utilities_updateGamma(C_minmaxAvg,.True.)
|
call Utilities_updateGamma(C_minMaxAvg,.true.)
|
||||||
|
|
||||||
end subroutine basicPETSc_init
|
end subroutine basicPETSc_init
|
||||||
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
!> @brief solution for the Basic PETSC scheme with internal iterations
|
!> @brief solution for the Basic PETSC scheme with internal iterations
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
type(tSolutionState) function &
|
type(tSolutionState) function basicPETSc_solution(incInfoIn,timeinc,timeinc_old,stress_BC,rotation_BC)
|
||||||
basicPETSc_solution(incInfoIn,timeinc,timeinc_old,stress_BC,rotation_BC)
|
|
||||||
use IO, only: &
|
use IO, only: &
|
||||||
IO_error
|
IO_error
|
||||||
use numerics, only: &
|
use numerics, only: &
|
||||||
|
|
@ -238,13 +238,13 @@ type(tSolutionState) function &
|
||||||
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
! input data for solution
|
! input data for solution
|
||||||
real(pReal), intent(in) :: &
|
|
||||||
timeinc, & !< increment in time for current solution
|
|
||||||
timeinc_old !< increment in time of last increment
|
|
||||||
type(tBoundaryCondition), intent(in) :: &
|
|
||||||
stress_BC
|
|
||||||
character(len=*), intent(in) :: &
|
character(len=*), intent(in) :: &
|
||||||
incInfoIn
|
incInfoIn
|
||||||
|
real(pReal), intent(in) :: &
|
||||||
|
timeinc, & !< increment time for current solution
|
||||||
|
timeinc_old !< increment time of last successful increment
|
||||||
|
type(tBoundaryCondition), intent(in) :: &
|
||||||
|
stress_BC
|
||||||
real(pReal), dimension(3,3), intent(in) :: rotation_BC
|
real(pReal), dimension(3,3), intent(in) :: rotation_BC
|
||||||
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
|
|
@ -261,7 +261,7 @@ type(tSolutionState) function &
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
! update stiffness (and gamma operator)
|
! update stiffness (and gamma operator)
|
||||||
S = Utilities_maskedCompliance(rotation_BC,stress_BC%maskLogical,C_volAvg)
|
S = Utilities_maskedCompliance(rotation_BC,stress_BC%maskLogical,C_volAvg)
|
||||||
if (update_gamma) call Utilities_updateGamma(C_minmaxAvg,restartWrite)
|
if (update_gamma) call Utilities_updateGamma(C_minMaxAvg,restartWrite)
|
||||||
|
|
||||||
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
|
|
@ -274,19 +274,17 @@ type(tSolutionState) function &
|
||||||
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
! solve BVP
|
! solve BVP
|
||||||
call SNESSolve(snes,PETSC_NULL_OBJECT,solution_vec,ierr)
|
call SNESSolve(snes,PETSC_NULL_OBJECT,solution_vec,ierr); CHKERRQ(ierr)
|
||||||
CHKERRQ(ierr)
|
|
||||||
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
! check convergence
|
! check convergence
|
||||||
call SNESGetConvergedReason(snes,reason,ierr)
|
call SNESGetConvergedReason(snes,reason,ierr); CHKERRQ(ierr)
|
||||||
CHKERRQ(ierr)
|
|
||||||
|
BasicPETSc_solution%converged = reason > 0
|
||||||
|
basicPETSC_solution%iterationsNeeded = totalIter
|
||||||
basicPETSc_solution%termIll = terminallyIll
|
basicPETSc_solution%termIll = terminallyIll
|
||||||
terminallyIll = .false.
|
terminallyIll = .false.
|
||||||
BasicPETSc_solution%converged =.true.
|
if (reason == -4) call IO_error(893_pInt) ! MPI error
|
||||||
if (reason == -4) call IO_error(893_pInt)
|
|
||||||
if (reason < 1) basicPETSC_solution%converged = .false.
|
|
||||||
basicPETSC_solution%iterationsNeeded = totalIter
|
|
||||||
|
|
||||||
end function BasicPETSc_solution
|
end function BasicPETSc_solution
|
||||||
|
|
||||||
|
|
@ -322,19 +320,18 @@ subroutine BasicPETSC_formResidual(in,x_scal,f_scal,dummy,ierr)
|
||||||
terminallyIll
|
terminallyIll
|
||||||
|
|
||||||
implicit none
|
implicit none
|
||||||
DMDALocalInfo, dimension(DMDA_LOCAL_INFO_SIZE) :: &
|
DMDALocalInfo, dimension(DMDA_LOCAL_INFO_SIZE) :: in
|
||||||
in
|
PetscScalar, &
|
||||||
PetscScalar, dimension(3,3, &
|
dimension(3,3, XG_RANGE,YG_RANGE,ZG_RANGE), intent(in) :: x_scal !< what is this?
|
||||||
XG_RANGE,YG_RANGE,ZG_RANGE), intent(in) :: &
|
PetscScalar, &
|
||||||
x_scal
|
dimension(3,3, X_RANGE,Y_RANGE,Z_RANGE), intent(out) :: f_scal !< what is this?
|
||||||
PetscScalar, dimension(3,3, &
|
|
||||||
X_RANGE,Y_RANGE,Z_RANGE), intent(out) :: &
|
|
||||||
f_scal
|
|
||||||
PetscInt :: &
|
PetscInt :: &
|
||||||
PETScIter, &
|
PETScIter, &
|
||||||
nfuncs
|
nfuncs
|
||||||
PetscObject :: dummy
|
PetscObject :: dummy
|
||||||
PetscErrorCode :: ierr
|
PetscErrorCode :: ierr
|
||||||
|
real(pReal), dimension(3,3) :: &
|
||||||
|
deltaF_aim
|
||||||
|
|
||||||
external :: &
|
external :: &
|
||||||
SNESGetNumberFunctionEvals, &
|
SNESGetNumberFunctionEvals, &
|
||||||
|
|
@ -343,46 +340,45 @@ subroutine BasicPETSC_formResidual(in,x_scal,f_scal,dummy,ierr)
|
||||||
call SNESGetNumberFunctionEvals(snes,nfuncs,ierr); CHKERRQ(ierr)
|
call SNESGetNumberFunctionEvals(snes,nfuncs,ierr); CHKERRQ(ierr)
|
||||||
call SNESGetIterationNumber(snes,PETScIter,ierr); CHKERRQ(ierr)
|
call SNESGetIterationNumber(snes,PETScIter,ierr); CHKERRQ(ierr)
|
||||||
|
|
||||||
if(nfuncs== 0 .and. PETScIter == 0) totalIter = -1_pInt ! new increment
|
if (nfuncs == 0 .and. PETScIter == 0) totalIter = -1_pInt ! new increment
|
||||||
newIteration: if(totalIter <= PETScIter) then
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
! report begin of new iteration
|
! begin of new iteration
|
||||||
|
newIteration: if (totalIter <= PETScIter) then
|
||||||
totalIter = totalIter + 1_pInt
|
totalIter = totalIter + 1_pInt
|
||||||
write(6,'(1x,a,3(a,'//IO_intOut(itmax)//'))') trim(incInfo), &
|
write(6,'(1x,a,3(a,'//IO_intOut(itmax)//'))') &
|
||||||
' @ Iteration ', itmin, '≤',totalIter, '≤', itmax
|
trim(incInfo), ' @ Iteration ', itmin, '≤',totalIter, '≤', itmax
|
||||||
if (iand(debug_level(debug_spectral),debug_spectralRotation) /= 0) &
|
if (iand(debug_level(debug_spectral),debug_spectralRotation) /= 0) &
|
||||||
write(6,'(/,a,/,3(3(f12.7,1x)/))',advance='no') ' deformation gradient aim (lab) =', &
|
write(6,'(/,a,/,3(3(f12.7,1x)/))',advance='no') &
|
||||||
math_transpose33(math_rotate_backward33(F_aim,params%rotation_BC))
|
' deformation gradient aim (lab) =', math_transpose33(math_rotate_backward33(F_aim,params%rotation_BC))
|
||||||
write(6,'(/,a,/,3(3(f12.7,1x)/))',advance='no') ' deformation gradient aim =', &
|
write(6,'(/,a,/,3(3(f12.7,1x)/))',advance='no') &
|
||||||
math_transpose33(F_aim)
|
' deformation gradient aim =', math_transpose33(F_aim)
|
||||||
flush(6)
|
flush(6)
|
||||||
endif newIteration
|
endif newIteration
|
||||||
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
! evaluate constitutive response
|
! evaluate constitutive response
|
||||||
call Utilities_constitutiveResponse(F_lastInc,x_scal,params%timeinc, &
|
call Utilities_constitutiveResponse(f_scal,P_av,C_volAvg,C_minMaxAvg, &
|
||||||
f_scal,C_volAvg,C_minmaxAvg,P_av,ForwardData,params%rotation_BC)
|
x_scal,params%timeinc, params%rotation_BC)
|
||||||
call MPI_Allreduce(MPI_IN_PLACE,terminallyIll,1,MPI_LOGICAL,MPI_LOR,PETSC_COMM_WORLD,ierr)
|
call MPI_Allreduce(MPI_IN_PLACE,terminallyIll,1,MPI_LOGICAL,MPI_LOR,PETSC_COMM_WORLD,ierr)
|
||||||
ForwardData = .false.
|
|
||||||
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
! stress BC handling
|
! stress BC handling
|
||||||
F_aim_lastIter = F_aim
|
deltaF_aim = math_mul3333xx33(S, P_av - params%stress_BC)
|
||||||
F_aim = F_aim - math_mul3333xx33(S, ((P_av - params%stress_BC))) ! S = 0.0 for no bc
|
F_aim = F_aim - deltaF_aim
|
||||||
err_stress = maxval(abs(mask_stress * (P_av - params%stress_BC))) ! mask = 0.0 for no bc
|
err_BC = maxval(abs(mask_stress * (P_av - params%stress_BC))) ! mask = 0.0 when no stress bc
|
||||||
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
! updated deformation gradient using fix point algorithm of basic scheme
|
! updated deformation gradient using fix point algorithm of basic scheme
|
||||||
tensorField_real = 0.0_pReal
|
tensorField_real = 0.0_pReal
|
||||||
tensorField_real(1:3,1:3,1:grid(1),1:grid(2),1:grid3) = f_scal
|
tensorField_real(1:3,1:3,1:grid(1),1:grid(2),1:grid3) = f_scal
|
||||||
call utilities_FFTtensorForward()
|
call utilities_FFTtensorForward() ! FFT forward of global "tensorField_real"
|
||||||
err_div = Utilities_divergenceRMS()
|
err_div = Utilities_divergenceRMS() ! divRMS of tensorField_fourier
|
||||||
call utilities_fourierGammaConvolution(math_rotate_backward33(F_aim_lastIter-F_aim,params%rotation_BC))
|
call utilities_fourierGammaConvolution(math_rotate_backward33(deltaF_aim,params%rotation_BC)) ! convolution of Gamma and tensorField_fourier, with arg
|
||||||
call utilities_FFTtensorBackward()
|
call utilities_FFTtensorBackward() ! FFT backward of global tensorField_fourier
|
||||||
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
! constructing residual
|
! constructing residual
|
||||||
f_scal = tensorField_real(1:3,1:3,1:grid(1),1:grid(2),1:grid3)
|
f_scal = tensorField_real(1:3,1:3,1:grid(1),1:grid(2),1:grid3) ! Gamma*P gives correction towards div(P) = 0, so needs to be zero, too
|
||||||
|
|
||||||
end subroutine BasicPETSc_formResidual
|
end subroutine BasicPETSc_formResidual
|
||||||
|
|
||||||
|
|
@ -413,14 +409,14 @@ subroutine BasicPETSc_converged(snes_local,PETScIter,xnorm,snorm,fnorm,reason,du
|
||||||
PetscErrorCode :: ierr
|
PetscErrorCode :: ierr
|
||||||
real(pReal) :: &
|
real(pReal) :: &
|
||||||
divTol, &
|
divTol, &
|
||||||
stressTol
|
BCTol
|
||||||
|
|
||||||
divTol = max(maxval(abs(P_av))*err_div_tolRel,err_div_tolAbs)
|
divTol = max(maxval(abs(P_av))*err_div_tolRel ,err_div_tolAbs)
|
||||||
stressTol = max(maxval(abs(P_av))*err_stress_tolrel,err_stress_tolabs)
|
BCTol = max(maxval(abs(P_av))*err_stress_tolRel,err_stress_tolAbs)
|
||||||
|
|
||||||
converged: if ((totalIter >= itmin .and. &
|
converged: if ((totalIter >= itmin .and. &
|
||||||
all([ err_div/divTol, &
|
all([ err_div/divTol, &
|
||||||
err_stress/stressTol ] < 1.0_pReal)) &
|
err_BC /BCTol ] < 1.0_pReal)) &
|
||||||
.or. terminallyIll) then
|
.or. terminallyIll) then
|
||||||
reason = 1
|
reason = 1
|
||||||
elseif (totalIter >= itmax) then converged
|
elseif (totalIter >= itmax) then converged
|
||||||
|
|
@ -433,9 +429,9 @@ subroutine BasicPETSc_converged(snes_local,PETScIter,xnorm,snorm,fnorm,reason,du
|
||||||
! report
|
! report
|
||||||
write(6,'(1/,a)') ' ... reporting .............................................................'
|
write(6,'(1/,a)') ' ... reporting .............................................................'
|
||||||
write(6,'(1/,a,f12.2,a,es8.2,a,es9.2,a)') ' error divergence = ', &
|
write(6,'(1/,a,f12.2,a,es8.2,a,es9.2,a)') ' error divergence = ', &
|
||||||
err_div/divTol, ' (',err_div,' / m, tol =',divTol,')'
|
err_div/divTol, ' (',err_div,' / m, tol = ',divTol,')'
|
||||||
write(6,'(a,f12.2,a,es8.2,a,es9.2,a)') ' error stress BC = ', &
|
write(6,'(a,f12.2,a,es8.2,a,es9.2,a)') ' error stress BC = ', &
|
||||||
err_stress/stressTol, ' (',err_stress, ' Pa, tol =',stressTol,')'
|
err_BC/BCTol, ' (',err_BC, ' Pa, tol = ',BCTol,')'
|
||||||
write(6,'(/,a)') ' ==========================================================================='
|
write(6,'(/,a)') ' ==========================================================================='
|
||||||
flush(6)
|
flush(6)
|
||||||
|
|
||||||
|
|
@ -443,6 +439,8 @@ end subroutine BasicPETSc_converged
|
||||||
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
!> @brief forwarding routine
|
!> @brief forwarding routine
|
||||||
|
!> @details find new boundary conditions and best F estimate for end of current timestep
|
||||||
|
!> possibly writing restart information, triggering of state increment in DAMASK, and updating of IPcoordinates
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
subroutine BasicPETSc_forward(guess,timeinc,timeinc_old,loadCaseTime,deformation_BC,stress_BC,rotation_BC)
|
subroutine BasicPETSc_forward(guess,timeinc,timeinc_old,loadCaseTime,deformation_BC,stress_BC,rotation_BC)
|
||||||
use math, only: &
|
use math, only: &
|
||||||
|
|
@ -450,9 +448,13 @@ subroutine BasicPETSc_forward(guess,timeinc,timeinc_old,loadCaseTime,deformation
|
||||||
math_rotate_backward33
|
math_rotate_backward33
|
||||||
use numerics, only: &
|
use numerics, only: &
|
||||||
worldrank
|
worldrank
|
||||||
|
use homogenization, only: &
|
||||||
|
materialpoint_F0
|
||||||
use mesh, only: &
|
use mesh, only: &
|
||||||
grid, &
|
grid, &
|
||||||
grid3
|
grid3
|
||||||
|
use CPFEM2, only: &
|
||||||
|
CPFEM_age
|
||||||
use spectral_utilities, only: &
|
use spectral_utilities, only: &
|
||||||
Utilities_calculateRate, &
|
Utilities_calculateRate, &
|
||||||
Utilities_forwardField, &
|
Utilities_forwardField, &
|
||||||
|
|
@ -465,6 +467,8 @@ subroutine BasicPETSc_forward(guess,timeinc,timeinc_old,loadCaseTime,deformation
|
||||||
restartWrite
|
restartWrite
|
||||||
|
|
||||||
implicit none
|
implicit none
|
||||||
|
logical, intent(in) :: &
|
||||||
|
guess
|
||||||
real(pReal), intent(in) :: &
|
real(pReal), intent(in) :: &
|
||||||
timeinc_old, &
|
timeinc_old, &
|
||||||
timeinc, &
|
timeinc, &
|
||||||
|
|
@ -472,74 +476,78 @@ subroutine BasicPETSc_forward(guess,timeinc,timeinc_old,loadCaseTime,deformation
|
||||||
type(tBoundaryCondition), intent(in) :: &
|
type(tBoundaryCondition), intent(in) :: &
|
||||||
stress_BC, &
|
stress_BC, &
|
||||||
deformation_BC
|
deformation_BC
|
||||||
real(pReal), dimension(3,3), intent(in) :: rotation_BC
|
real(pReal), dimension(3,3), intent(in) ::&
|
||||||
logical, intent(in) :: &
|
rotation_BC
|
||||||
guess
|
|
||||||
PetscErrorCode :: ierr
|
PetscErrorCode :: ierr
|
||||||
PetscScalar, pointer :: F(:,:,:,:)
|
PetscScalar, dimension(:,:,:,:), pointer :: F
|
||||||
|
|
||||||
character(len=1024) :: rankStr
|
character(len=32) :: rankStr
|
||||||
|
|
||||||
call DMDAVecGetArrayF90(da,solution_vec,F,ierr)
|
call DMDAVecGetArrayF90(da,solution_vec,F,ierr); CHKERRQ(ierr)
|
||||||
!--------------------------------------------------------------------------------------------------
|
|
||||||
! restart information for spectral solver
|
|
||||||
if (restartWrite) then
|
|
||||||
write(6,'(/,a)') ' writing converged results for restart'
|
|
||||||
flush(6)
|
|
||||||
write(rankStr,'(a1,i0)')'_',worldrank
|
|
||||||
call IO_write_jobRealFile(777,'F'//trim(rankStr),size(F)) ! writing deformation gradient field to file
|
|
||||||
write (777,rec=1) F
|
|
||||||
close (777)
|
|
||||||
call IO_write_jobRealFile(777,'F_lastInc'//trim(rankStr),size(F_lastInc)) ! writing F_lastInc field to file
|
|
||||||
write (777,rec=1) F_lastInc
|
|
||||||
close (777)
|
|
||||||
if (worldrank == 0_pInt) then
|
|
||||||
call IO_write_jobRealFile(777,'F_aimDot',size(F_aimDot))
|
|
||||||
write (777,rec=1) F_aimDot
|
|
||||||
close(777)
|
|
||||||
call IO_write_jobRealFile(777,'C_volAvg',size(C_volAvg))
|
|
||||||
write (777,rec=1) C_volAvg
|
|
||||||
close(777)
|
|
||||||
call IO_write_jobRealFile(777,'C_volAvgLastInc',size(C_volAvgLastInc))
|
|
||||||
write (777,rec=1) C_volAvgLastInc
|
|
||||||
close(777)
|
|
||||||
endif
|
|
||||||
endif
|
|
||||||
|
|
||||||
call utilities_updateIPcoords(F)
|
|
||||||
|
|
||||||
if (cutBack) then
|
if (cutBack) then
|
||||||
F_aim = F_aim_lastInc
|
C_volAvg = C_volAvgLastInc ! QUESTION: where is this required?
|
||||||
F = reshape(F_lastInc, [9,grid(1),grid(2),grid3])
|
C_minMaxAvg = C_minMaxAvgLastInc ! QUESTION: where is this required?
|
||||||
C_volAvg = C_volAvgLastInc
|
|
||||||
else
|
else
|
||||||
ForwardData = .True.
|
!--------------------------------------------------------------------------------------------------
|
||||||
C_volAvgLastInc = C_volAvg
|
! restart information for spectral solver
|
||||||
!--------------------------------------------------------------------------------------------------
|
if (restartWrite) then ! QUESTION: where is this logical properly set?
|
||||||
! calculate rate for aim
|
write(6,'(/,a)') ' writing converged results for restart'
|
||||||
if (deformation_BC%myType=='l') then ! calculate f_aimDot from given L and current F
|
flush(6)
|
||||||
f_aimDot = deformation_BC%maskFloat * math_mul33x33(deformation_BC%values, F_aim)
|
|
||||||
elseif(deformation_BC%myType=='fdot') then ! f_aimDot is prescribed
|
|
||||||
f_aimDot = deformation_BC%maskFloat * deformation_BC%values
|
|
||||||
elseif(deformation_BC%myType=='f') then ! aim at end of load case is prescribed
|
|
||||||
f_aimDot = deformation_BC%maskFloat * (deformation_BC%values -F_aim)/loadCaseTime
|
|
||||||
endif
|
|
||||||
if (guess) f_aimDot = f_aimDot + stress_BC%maskFloat * (F_aim - F_aim_lastInc)/timeinc_old
|
|
||||||
F_aim_lastInc = F_aim
|
|
||||||
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
if (worldrank == 0_pInt) then
|
||||||
! update coordinates and rate and forward last inc
|
call IO_write_jobRealFile(777,'C_volAvg',size(C_volAvg))
|
||||||
|
write (777,rec=1) C_volAvg; close(777)
|
||||||
|
call IO_write_jobRealFile(777,'C_volAvgLastInc',size(C_volAvgLastInc))
|
||||||
|
write (777,rec=1) C_volAvgLastInc; close(777)
|
||||||
|
call IO_write_jobRealFile(777,'F_aimDot',size(F_aimDot))
|
||||||
|
write (777,rec=1) F_aimDot; close(777)
|
||||||
|
endif
|
||||||
|
|
||||||
|
write(rankStr,'(a1,i0)')'_',worldrank
|
||||||
|
call IO_write_jobRealFile(777,'F'//trim(rankStr),size(F)) ! writing deformation gradient field to file
|
||||||
|
write (777,rec=1) F; close (777)
|
||||||
|
call IO_write_jobRealFile(777,'F_lastInc'//trim(rankStr),size(F_lastInc)) ! writing F_lastInc field to file
|
||||||
|
write (777,rec=1) F_lastInc; close (777)
|
||||||
|
endif
|
||||||
|
|
||||||
|
call CPFEM_age() ! age state and kinematics
|
||||||
call utilities_updateIPcoords(F)
|
call utilities_updateIPcoords(F)
|
||||||
Fdot = Utilities_calculateRate(math_rotate_backward33(f_aimDot,rotation_BC), &
|
|
||||||
timeinc_old,guess,F_lastInc,reshape(F,[3,3,grid(1),grid(2),grid3]))
|
C_volAvgLastInc = C_volAvg
|
||||||
F_lastInc = reshape(F, [3,3,grid(1),grid(2),grid3])
|
C_minMaxAvgLastInc = C_minMaxAvg
|
||||||
|
|
||||||
|
if (guess) then ! QUESTION: better with a = L ? x:y
|
||||||
|
F_aimDot = stress_BC%maskFloat * (F_aim - F_aim_lastInc)/timeinc_old ! initialize with correction based on last inc
|
||||||
|
else
|
||||||
|
F_aimDot = 0.0_pReal
|
||||||
|
endif ! components of deformation_BC%maskFloat always start out with zero
|
||||||
|
F_aim_lastInc = F_aim
|
||||||
|
!--------------------------------------------------------------------------------------------------
|
||||||
|
! calculate rate for aim
|
||||||
|
if (deformation_BC%myType=='l') then ! calculate F_aimDot from given L and current F
|
||||||
|
F_aimDot = &
|
||||||
|
F_aimDot + deformation_BC%maskFloat * math_mul33x33(deformation_BC%values, F_aim_lastInc)
|
||||||
|
elseif(deformation_BC%myType=='fdot') then ! F_aimDot is prescribed
|
||||||
|
F_aimDot = &
|
||||||
|
F_aimDot + deformation_BC%maskFloat * deformation_BC%values
|
||||||
|
elseif (deformation_BC%myType=='f') then ! aim at end of load case is prescribed
|
||||||
|
F_aimDot = &
|
||||||
|
F_aimDot + deformation_BC%maskFloat * (deformation_BC%values - F_aim_lastInc)/loadCaseTime
|
||||||
endif
|
endif
|
||||||
|
|
||||||
F_aim = F_aim + f_aimDot * timeinc
|
|
||||||
|
Fdot = Utilities_calculateRate(guess, &
|
||||||
|
F_lastInc,reshape(F,[3,3,grid(1),grid(2),grid3]),timeinc_old, &
|
||||||
|
math_rotate_backward33(F_aimDot,rotation_BC))
|
||||||
|
F_lastInc = reshape(F, [3,3,grid(1),grid(2),grid3]) ! winding F forward
|
||||||
|
materialpoint_F0 = reshape(F_lastInc, [3,3,1,product(grid(1:2))*grid3]) ! set starting condition for materialpoint_stressAndItsTangent
|
||||||
|
endif
|
||||||
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
! update local deformation gradient
|
! update average and local deformation gradients
|
||||||
F = reshape(Utilities_forwardField(timeinc,F_lastInc,Fdot, & ! ensure that it matches rotated F_aim
|
F_aim = F_aim_lastInc + F_aimDot * timeinc
|
||||||
|
F = reshape(Utilities_forwardField(timeinc,F_lastInc,Fdot, & ! estimate of F at end of time+timeinc that matches rotated F_aim on average
|
||||||
math_rotate_backward33(F_aim,rotation_BC)),[9,grid(1),grid(2),grid3])
|
math_rotate_backward33(F_aim,rotation_BC)),[9,grid(1),grid(2),grid3])
|
||||||
call DMDAVecRestoreArrayF90(da,solution_vec,F,ierr); CHKERRQ(ierr)
|
call DMDAVecRestoreArrayF90(da,solution_vec,F,ierr); CHKERRQ(ierr)
|
||||||
|
|
||||||
|
|
|
||||||
|
|
@ -43,7 +43,7 @@ module spectral_mech_Polarisation
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
! stress, stiffness and compliance average etc.
|
! stress, stiffness and compliance average etc.
|
||||||
real(pReal), private, dimension(3,3) :: &
|
real(pReal), private, dimension(3,3) :: &
|
||||||
F_aimDot, & !< assumed rate of average deformation gradient
|
F_aimDot = 0.0_pReal, & !< assumed rate of average deformation gradient
|
||||||
F_aim = math_I3, & !< current prescribed deformation gradient
|
F_aim = math_I3, & !< current prescribed deformation gradient
|
||||||
F_aim_lastInc = math_I3, & !< previous average deformation gradient
|
F_aim_lastInc = math_I3, & !< previous average deformation gradient
|
||||||
F_av = 0.0_pReal, & !< average incompatible def grad field
|
F_av = 0.0_pReal, & !< average incompatible def grad field
|
||||||
|
|
@ -54,6 +54,7 @@ module spectral_mech_Polarisation
|
||||||
C_volAvg = 0.0_pReal, & !< current volume average stiffness
|
C_volAvg = 0.0_pReal, & !< current volume average stiffness
|
||||||
C_volAvgLastInc = 0.0_pReal, & !< previous volume average stiffness
|
C_volAvgLastInc = 0.0_pReal, & !< previous volume average stiffness
|
||||||
C_minMaxAvg = 0.0_pReal, & !< current (min+max)/2 stiffness
|
C_minMaxAvg = 0.0_pReal, & !< current (min+max)/2 stiffness
|
||||||
|
C_minMaxAvgLastInc = 0.0_pReal, & !< previous (min+max)/2 stiffness
|
||||||
S = 0.0_pReal, & !< current compliance (filled up with zeros)
|
S = 0.0_pReal, & !< current compliance (filled up with zeros)
|
||||||
C_scale = 0.0_pReal, &
|
C_scale = 0.0_pReal, &
|
||||||
S_scale = 0.0_pReal
|
S_scale = 0.0_pReal
|
||||||
|
|
@ -62,7 +63,7 @@ module spectral_mech_Polarisation
|
||||||
err_BC, & !< deviation from stress BC
|
err_BC, & !< deviation from stress BC
|
||||||
err_curl, & !< RMS of curl of F
|
err_curl, & !< RMS of curl of F
|
||||||
err_div !< RMS of div of P
|
err_div !< RMS of div of P
|
||||||
logical, private :: ForwardData
|
|
||||||
integer(pInt), private :: &
|
integer(pInt), private :: &
|
||||||
totalIter = 0_pInt !< total iteration in current increment
|
totalIter = 0_pInt !< total iteration in current increment
|
||||||
|
|
||||||
|
|
@ -80,7 +81,7 @@ module spectral_mech_Polarisation
|
||||||
contains
|
contains
|
||||||
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
!> @brief allocates all neccessary fields and fills them with data, potentially from restart info
|
!> @brief allocates all necessary fields and fills them with data, potentially from restart info
|
||||||
!> @todo use sourced allocation, e.g. allocate(Fdot,source = F_lastInc)
|
!> @todo use sourced allocation, e.g. allocate(Fdot,source = F_lastInc)
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
subroutine Polarisation_init
|
subroutine Polarisation_init
|
||||||
|
|
@ -102,12 +103,15 @@ subroutine Polarisation_init
|
||||||
use numerics, only: &
|
use numerics, only: &
|
||||||
worldrank, &
|
worldrank, &
|
||||||
worldsize
|
worldsize
|
||||||
|
use homogenization, only: &
|
||||||
|
materialpoint_F0
|
||||||
use DAMASK_interface, only: &
|
use DAMASK_interface, only: &
|
||||||
getSolverJobName
|
getSolverJobName
|
||||||
use spectral_utilities, only: &
|
use spectral_utilities, only: &
|
||||||
Utilities_constitutiveResponse, &
|
Utilities_constitutiveResponse, &
|
||||||
Utilities_updateGamma, &
|
Utilities_updateGamma, &
|
||||||
Utilities_updateIPcoords
|
Utilities_updateIPcoords, &
|
||||||
|
wgt
|
||||||
use mesh, only: &
|
use mesh, only: &
|
||||||
grid, &
|
grid, &
|
||||||
grid3
|
grid3
|
||||||
|
|
@ -120,7 +124,11 @@ subroutine Polarisation_init
|
||||||
temp33_Real = 0.0_pReal
|
temp33_Real = 0.0_pReal
|
||||||
|
|
||||||
PetscErrorCode :: ierr
|
PetscErrorCode :: ierr
|
||||||
PetscScalar, pointer, dimension(:,:,:,:) :: xx_psc, F, F_tau
|
PetscScalar, pointer, dimension(:,:,:,:) :: &
|
||||||
|
FandF_tau, & ! overall pointer to solution data
|
||||||
|
F, & ! specific (sub)pointer
|
||||||
|
F_tau ! specific (sub)pointer
|
||||||
|
|
||||||
integer(pInt), dimension(:), allocatable :: localK
|
integer(pInt), dimension(:), allocatable :: localK
|
||||||
integer(pInt) :: proc
|
integer(pInt) :: proc
|
||||||
character(len=1024) :: rankStr
|
character(len=1024) :: rankStr
|
||||||
|
|
@ -164,78 +172,69 @@ subroutine Polarisation_init
|
||||||
grid(1),grid(2),localK, & ! local grid
|
grid(1),grid(2),localK, & ! local grid
|
||||||
da,ierr) ! handle, error
|
da,ierr) ! handle, error
|
||||||
CHKERRQ(ierr)
|
CHKERRQ(ierr)
|
||||||
call SNESSetDM(snes,da,ierr); CHKERRQ(ierr)
|
call SNESSetDM(snes,da,ierr); CHKERRQ(ierr) ! connect snes to da
|
||||||
call DMCreateGlobalVector(da,solution_vec,ierr); CHKERRQ(ierr)
|
call DMCreateGlobalVector(da,solution_vec,ierr); CHKERRQ(ierr) ! global solution vector (grid x 9, i.e. every def grad tensor)
|
||||||
call DMDASNESSetFunctionLocal(da,INSERT_VALUES,Polarisation_formResidual,PETSC_NULL_OBJECT,ierr)
|
call DMDASNESSetFunctionLocal(da,INSERT_VALUES,Polarisation_formResidual,PETSC_NULL_OBJECT,ierr) ! residual vector of same shape as solution vector
|
||||||
CHKERRQ(ierr)
|
CHKERRQ(ierr)
|
||||||
call SNESSetConvergenceTest(snes,Polarisation_converged,PETSC_NULL_OBJECT,PETSC_NULL_FUNCTION,ierr)
|
call SNESSetConvergenceTest(snes,Polarisation_converged,PETSC_NULL_OBJECT,PETSC_NULL_FUNCTION,ierr) ! specify custom convergence check function "_converged"
|
||||||
CHKERRQ(ierr)
|
CHKERRQ(ierr)
|
||||||
call SNESSetFromOptions(snes,ierr); CHKERRQ(ierr)
|
call SNESSetFromOptions(snes,ierr); CHKERRQ(ierr) ! pull it all together with additional cli arguments
|
||||||
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
! init fields
|
! init fields
|
||||||
call DMDAVecGetArrayF90(da,solution_vec,xx_psc,ierr); CHKERRQ(ierr) ! places pointer xx_psc on PETSc data
|
call DMDAVecGetArrayF90(da,solution_vec,FandF_tau,ierr); CHKERRQ(ierr) ! places pointer on PETSc data
|
||||||
F => xx_psc(0:8,:,:,:)
|
F => FandF_tau( 0: 8,:,:,:)
|
||||||
F_tau => xx_psc(9:17,:,:,:)
|
F_tau => FandF_tau( 9:17,:,:,:)
|
||||||
restart: if (restartInc > 1_pInt) then
|
restart: if (restartInc > 0_pInt) then
|
||||||
if (iand(debug_level(debug_spectral),debug_spectralRestart)/= 0) &
|
if (iand(debug_level(debug_spectral),debug_spectralRestart) /= 0) then
|
||||||
write(6,'(/,a,'//IO_intOut(restartInc-1_pInt)//',a)') &
|
write(6,'(/,a,'//IO_intOut(restartInc)//',a)') &
|
||||||
'reading values of increment ', restartInc - 1_pInt, ' from file'
|
'reading values of increment ', restartInc, ' from file'
|
||||||
flush(6)
|
flush(6)
|
||||||
|
endif
|
||||||
write(rankStr,'(a1,i0)')'_',worldrank
|
write(rankStr,'(a1,i0)')'_',worldrank
|
||||||
call IO_read_realFile(777,'F'//trim(rankStr),trim(getSolverJobName()),size(F))
|
call IO_read_realFile(777,'F'//trim(rankStr),trim(getSolverJobName()),size(F))
|
||||||
read (777,rec=1) F
|
read (777,rec=1) F; close (777)
|
||||||
close (777)
|
|
||||||
call IO_read_realFile(777,'F_lastInc'//trim(rankStr),trim(getSolverJobName()),size(F_lastInc))
|
call IO_read_realFile(777,'F_lastInc'//trim(rankStr),trim(getSolverJobName()),size(F_lastInc))
|
||||||
read (777,rec=1) F_lastInc
|
read (777,rec=1) F_lastInc; close (777)
|
||||||
close (777)
|
|
||||||
call IO_read_realFile(777,'F_tau'//trim(rankStr),trim(getSolverJobName()),size(F_tau))
|
call IO_read_realFile(777,'F_tau'//trim(rankStr),trim(getSolverJobName()),size(F_tau))
|
||||||
read (777,rec=1) F_tau
|
read (777,rec=1) F_tau; close (777)
|
||||||
close (777)
|
call IO_read_realFile(777,'F_tau_lastInc'//trim(rankStr),trim(getSolverJobName()),size(F_tau_lastInc))
|
||||||
call IO_read_realFile(777,'F_tau_lastInc'//trim(rankStr),&
|
read (777,rec=1) F_tau_lastInc; close (777)
|
||||||
trim(getSolverJobName()),size(F_tau_lastInc))
|
call IO_read_realFile(777,'F_aimDot',trim(getSolverJobName()),size(F_aimDot))
|
||||||
read (777,rec=1) F_tau_lastInc
|
read (777,rec=1) F_aimDot; close (777)
|
||||||
close (777)
|
F_aim = reshape(sum(sum(sum(F,dim=4),dim=3),dim=2) * wgt, [3,3]) ! average of F
|
||||||
call IO_read_realFile(777,'F_aim', trim(getSolverJobName()),size(F_aim))
|
F_aim_lastInc = sum(sum(sum(F_lastInc,dim=5),dim=4),dim=3) * wgt ! average of F_lastInc
|
||||||
read (777,rec=1) F_aim
|
elseif (restartInc == 0_pInt) then restart
|
||||||
close (777)
|
|
||||||
call IO_read_realFile(777,'F_aim_lastInc', trim(getSolverJobName()),size(F_aim_lastInc))
|
|
||||||
read (777,rec=1) F_aim_lastInc
|
|
||||||
close (777)
|
|
||||||
call IO_read_realFile(777,'F_aimDot',trim(getSolverJobName()),size(f_aimDot))
|
|
||||||
read (777,rec=1) f_aimDot
|
|
||||||
close (777)
|
|
||||||
elseif (restartInc == 1_pInt) then restart
|
|
||||||
F_lastInc = spread(spread(spread(math_I3,3,grid(1)),4,grid(2)),5,grid3) ! initialize to identity
|
F_lastInc = spread(spread(spread(math_I3,3,grid(1)),4,grid(2)),5,grid3) ! initialize to identity
|
||||||
F = reshape(F_lastInc,[9,grid(1),grid(2),grid3])
|
F = reshape(F_lastInc,[9,grid(1),grid(2),grid3])
|
||||||
F_tau = 2.0_pReal* F
|
F_tau = 2.0_pReal*F
|
||||||
F_tau_lastInc = 2.0_pReal*F_lastInc
|
F_tau_lastInc = 2.0_pReal*F_lastInc
|
||||||
endif restart
|
endif restart
|
||||||
|
|
||||||
|
materialpoint_F0 = reshape(F_lastInc, [3,3,1,product(grid(1:2))*grid3]) ! set starting condition for materialpoint_stressAndItsTangent
|
||||||
call Utilities_updateIPcoords(reshape(F,shape(F_lastInc)))
|
call Utilities_updateIPcoords(reshape(F,shape(F_lastInc)))
|
||||||
call Utilities_constitutiveResponse(F_lastInc, reshape(F,shape(F_lastInc)), &
|
call Utilities_constitutiveResponse(P,temp33_Real,C_volAvg,C_minMaxAvg, & ! stress field, stress avg, global average of stiffness and (min+max)/2
|
||||||
0.0_pReal,P,C_volAvg,C_minMaxAvg,temp33_Real,.false.,math_I3)
|
reshape(F,shape(F_lastInc)), & ! target F
|
||||||
|
0.0_pReal, & ! time increment
|
||||||
|
math_I3) ! no rotation of boundary condition
|
||||||
nullify(F)
|
nullify(F)
|
||||||
nullify(F_tau)
|
nullify(F_tau)
|
||||||
call DMDAVecRestoreArrayF90(da,solution_vec,xx_psc,ierr); CHKERRQ(ierr) ! write data back to PETSc
|
call DMDAVecRestoreArrayF90(da,solution_vec,FandF_tau,ierr); CHKERRQ(ierr) ! write data back to PETSc
|
||||||
|
|
||||||
restartRead: if (restartInc > 1_pInt) then
|
restartRead: if (restartInc > 0_pInt) then
|
||||||
if (iand(debug_level(debug_spectral),debug_spectralRestart)/= 0 .and. worldrank == 0_pInt) &
|
if (iand(debug_level(debug_spectral),debug_spectralRestart)/= 0 .and. worldrank == 0_pInt) &
|
||||||
write(6,'(/,a,'//IO_intOut(restartInc-1_pInt)//',a)') &
|
write(6,'(/,a,'//IO_intOut(restartInc)//',a)') &
|
||||||
'reading more values of increment', restartInc - 1_pInt, 'from file'
|
'reading more values of increment ', restartInc, ' from file'
|
||||||
flush(6)
|
flush(6)
|
||||||
call IO_read_realFile(777,'C_volAvg',trim(getSolverJobName()),size(C_volAvg))
|
call IO_read_realFile(777,'C_volAvg',trim(getSolverJobName()),size(C_volAvg))
|
||||||
read (777,rec=1) C_volAvg
|
read (777,rec=1) C_volAvg; close (777)
|
||||||
close (777)
|
|
||||||
call IO_read_realFile(777,'C_volAvgLastInc',trim(getSolverJobName()),size(C_volAvgLastInc))
|
call IO_read_realFile(777,'C_volAvgLastInc',trim(getSolverJobName()),size(C_volAvgLastInc))
|
||||||
read (777,rec=1) C_volAvgLastInc
|
read (777,rec=1) C_volAvgLastInc; close (777)
|
||||||
close (777)
|
|
||||||
call IO_read_realFile(777,'C_ref',trim(getSolverJobName()),size(C_minMaxAvg))
|
call IO_read_realFile(777,'C_ref',trim(getSolverJobName()),size(C_minMaxAvg))
|
||||||
read (777,rec=1) C_minMaxAvg
|
read (777,rec=1) C_minMaxAvg; close (777)
|
||||||
close (777)
|
|
||||||
endif restartRead
|
endif restartRead
|
||||||
|
|
||||||
call Utilities_updateGamma(C_minMaxAvg,.True.)
|
call Utilities_updateGamma(C_minMaxAvg,.true.)
|
||||||
C_scale = C_minMaxAvg
|
C_scale = C_minMaxAvg
|
||||||
S_scale = math_invSym3333(C_minMaxAvg)
|
S_scale = math_invSym3333(C_minMaxAvg)
|
||||||
|
|
||||||
|
|
@ -245,8 +244,7 @@ end subroutine Polarisation_init
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
!> @brief solution for the Polarisation scheme with internal iterations
|
!> @brief solution for the Polarisation scheme with internal iterations
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
type(tSolutionState) function &
|
type(tSolutionState) function Polarisation_solution(incInfoIn,timeinc,timeinc_old,stress_BC,rotation_BC)
|
||||||
Polarisation_solution(incInfoIn,timeinc,timeinc_old,stress_BC,rotation_BC)
|
|
||||||
use IO, only: &
|
use IO, only: &
|
||||||
IO_error
|
IO_error
|
||||||
use numerics, only: &
|
use numerics, only: &
|
||||||
|
|
@ -265,13 +263,13 @@ type(tSolutionState) function &
|
||||||
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
! input data for solution
|
! input data for solution
|
||||||
real(pReal), intent(in) :: &
|
|
||||||
timeinc, & !< increment in time for current solution
|
|
||||||
timeinc_old !< increment in time of last increment
|
|
||||||
type(tBoundaryCondition), intent(in) :: &
|
|
||||||
stress_BC
|
|
||||||
character(len=*), intent(in) :: &
|
character(len=*), intent(in) :: &
|
||||||
incInfoIn
|
incInfoIn
|
||||||
|
real(pReal), intent(in) :: &
|
||||||
|
timeinc, & !< increment time for current solution
|
||||||
|
timeinc_old !< increment time of last successful increment
|
||||||
|
type(tBoundaryCondition), intent(in) :: &
|
||||||
|
stress_BC
|
||||||
real(pReal), dimension(3,3), intent(in) :: rotation_BC
|
real(pReal), dimension(3,3), intent(in) :: rotation_BC
|
||||||
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
|
|
@ -304,18 +302,17 @@ type(tSolutionState) function &
|
||||||
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
! solve BVP
|
! solve BVP
|
||||||
call SNESSolve(snes,PETSC_NULL_OBJECT,solution_vec,ierr)
|
call SNESSolve(snes,PETSC_NULL_OBJECT,solution_vec,ierr); CHKERRQ(ierr)
|
||||||
CHKERRQ(ierr)
|
|
||||||
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
! check convergence
|
! check convergence
|
||||||
call SNESGetConvergedReason(snes,reason,ierr)
|
call SNESGetConvergedReason(snes,reason,ierr); CHKERRQ(ierr)
|
||||||
CHKERRQ(ierr)
|
|
||||||
|
Polarisation_solution%converged = reason > 0
|
||||||
|
Polarisation_solution%iterationsNeeded = totalIter
|
||||||
Polarisation_solution%termIll = terminallyIll
|
Polarisation_solution%termIll = terminallyIll
|
||||||
terminallyIll = .false.
|
terminallyIll = .false.
|
||||||
if (reason == -4) call IO_error(893_pInt)
|
if (reason == -4) call IO_error(893_pInt) ! MPI error
|
||||||
if (reason < 1) Polarisation_solution%converged = .false.
|
|
||||||
Polarisation_solution%iterationsNeeded = totalIter
|
|
||||||
|
|
||||||
end function Polarisation_solution
|
end function Polarisation_solution
|
||||||
|
|
||||||
|
|
@ -330,8 +327,8 @@ subroutine Polarisation_formResidual(in,x_scal,f_scal,dummy,ierr)
|
||||||
polarAlpha, &
|
polarAlpha, &
|
||||||
polarBeta
|
polarBeta
|
||||||
use mesh, only: &
|
use mesh, only: &
|
||||||
grid3, &
|
grid, &
|
||||||
grid
|
grid3
|
||||||
use IO, only: &
|
use IO, only: &
|
||||||
IO_intOut
|
IO_intOut
|
||||||
use math, only: &
|
use math, only: &
|
||||||
|
|
@ -340,6 +337,10 @@ subroutine Polarisation_formResidual(in,x_scal,f_scal,dummy,ierr)
|
||||||
math_mul3333xx33, &
|
math_mul3333xx33, &
|
||||||
math_invSym3333, &
|
math_invSym3333, &
|
||||||
math_mul33x33
|
math_mul33x33
|
||||||
|
use debug, only: &
|
||||||
|
debug_level, &
|
||||||
|
debug_spectral, &
|
||||||
|
debug_spectralRotation
|
||||||
use spectral_utilities, only: &
|
use spectral_utilities, only: &
|
||||||
wgt, &
|
wgt, &
|
||||||
tensorField_real, &
|
tensorField_real, &
|
||||||
|
|
@ -349,27 +350,17 @@ subroutine Polarisation_formResidual(in,x_scal,f_scal,dummy,ierr)
|
||||||
Utilities_constitutiveResponse, &
|
Utilities_constitutiveResponse, &
|
||||||
Utilities_divergenceRMS, &
|
Utilities_divergenceRMS, &
|
||||||
Utilities_curlRMS
|
Utilities_curlRMS
|
||||||
use debug, only: &
|
|
||||||
debug_level, &
|
|
||||||
debug_spectral, &
|
|
||||||
debug_spectralRotation
|
|
||||||
use homogenization, only: &
|
use homogenization, only: &
|
||||||
materialpoint_dPdF
|
materialpoint_dPdF
|
||||||
use FEsolving, only: &
|
use FEsolving, only: &
|
||||||
terminallyIll
|
terminallyIll
|
||||||
|
|
||||||
implicit none
|
implicit none
|
||||||
!--------------------------------------------------------------------------------------------------
|
DMDALocalInfo, dimension(DMDA_LOCAL_INFO_SIZE) :: in
|
||||||
! strange syntax in the next line because otherwise macros expand beyond 132 character limit
|
PetscScalar, &
|
||||||
DMDALocalInfo, dimension(&
|
target, dimension(3,3,2, XG_RANGE,YG_RANGE,ZG_RANGE), intent(in) :: x_scal
|
||||||
DMDA_LOCAL_INFO_SIZE) :: &
|
PetscScalar, &
|
||||||
in
|
target, dimension(3,3,2, X_RANGE, Y_RANGE, Z_RANGE), intent(out) :: f_scal
|
||||||
PetscScalar, target, dimension(3,3,2, &
|
|
||||||
XG_RANGE,YG_RANGE,ZG_RANGE), intent(in) :: &
|
|
||||||
x_scal
|
|
||||||
PetscScalar, target, dimension(3,3,2, &
|
|
||||||
X_RANGE,Y_RANGE,Z_RANGE), intent(out) :: &
|
|
||||||
f_scal
|
|
||||||
PetscScalar, pointer, dimension(:,:,:,:,:) :: &
|
PetscScalar, pointer, dimension(:,:,:,:,:) :: &
|
||||||
F, &
|
F, &
|
||||||
F_tau, &
|
F_tau, &
|
||||||
|
|
@ -392,28 +383,28 @@ subroutine Polarisation_formResidual(in,x_scal,f_scal,dummy,ierr)
|
||||||
F_tau => x_scal(1:3,1:3,2,&
|
F_tau => x_scal(1:3,1:3,2,&
|
||||||
XG_RANGE,YG_RANGE,ZG_RANGE)
|
XG_RANGE,YG_RANGE,ZG_RANGE)
|
||||||
residual_F => f_scal(1:3,1:3,1,&
|
residual_F => f_scal(1:3,1:3,1,&
|
||||||
X_RANGE,Y_RANGE,Z_RANGE)
|
X_RANGE, Y_RANGE, Z_RANGE)
|
||||||
residual_F_tau => f_scal(1:3,1:3,2,&
|
residual_F_tau => f_scal(1:3,1:3,2,&
|
||||||
X_RANGE,Y_RANGE,Z_RANGE)
|
X_RANGE, Y_RANGE, Z_RANGE)
|
||||||
|
|
||||||
call SNESGetNumberFunctionEvals(snes,nfuncs,ierr); CHKERRQ(ierr)
|
|
||||||
call SNESGetIterationNumber(snes,PETScIter,ierr); CHKERRQ(ierr)
|
|
||||||
|
|
||||||
F_av = sum(sum(sum(F,dim=5),dim=4),dim=3) * wgt
|
F_av = sum(sum(sum(F,dim=5),dim=4),dim=3) * wgt
|
||||||
call MPI_Allreduce(MPI_IN_PLACE,F_av,9,MPI_DOUBLE,MPI_SUM,PETSC_COMM_WORLD,ierr)
|
call MPI_Allreduce(MPI_IN_PLACE,F_av,9,MPI_DOUBLE,MPI_SUM,PETSC_COMM_WORLD,ierr)
|
||||||
|
|
||||||
if(nfuncs== 0 .and. PETScIter == 0) totalIter = -1_pInt ! new increment
|
call SNESGetNumberFunctionEvals(snes,nfuncs,ierr); CHKERRQ(ierr)
|
||||||
newIteration: if(totalIter <= PETScIter) then
|
call SNESGetIterationNumber(snes,PETScIter,ierr); CHKERRQ(ierr)
|
||||||
|
|
||||||
|
if (nfuncs == 0 .and. PETScIter == 0) totalIter = -1_pInt ! new increment
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
! report begin of new iteration
|
! begin of new iteration
|
||||||
|
newIteration: if (totalIter <= PETScIter) then
|
||||||
totalIter = totalIter + 1_pInt
|
totalIter = totalIter + 1_pInt
|
||||||
write(6,'(1x,a,3(a,'//IO_intOut(itmax)//'))') trim(incInfo), &
|
write(6,'(1x,a,3(a,'//IO_intOut(itmax)//'))') &
|
||||||
' @ Iteration ', itmin, '≤',totalIter, '≤', itmax
|
trim(incInfo), ' @ Iteration ', itmin, '≤',totalIter, '≤', itmax
|
||||||
if (iand(debug_level(debug_spectral),debug_spectralRotation) /= 0) &
|
if (iand(debug_level(debug_spectral),debug_spectralRotation) /= 0) &
|
||||||
write(6,'(/,a,/,3(3(f12.7,1x)/))',advance='no') ' deformation gradient aim (lab) =', &
|
write(6,'(/,a,/,3(3(f12.7,1x)/))',advance='no') &
|
||||||
math_transpose33(math_rotate_backward33(F_aim,params%rotation_BC))
|
' deformation gradient aim (lab) =', math_transpose33(math_rotate_backward33(F_aim,params%rotation_BC))
|
||||||
write(6,'(/,a,/,3(3(f12.7,1x)/))',advance='no') ' deformation gradient aim =', &
|
write(6,'(/,a,/,3(3(f12.7,1x)/))',advance='no') &
|
||||||
math_transpose33(F_aim)
|
' deformation gradient aim =', math_transpose33(F_aim)
|
||||||
flush(6)
|
flush(6)
|
||||||
endif newIteration
|
endif newIteration
|
||||||
|
|
||||||
|
|
@ -440,18 +431,16 @@ subroutine Polarisation_formResidual(in,x_scal,f_scal,dummy,ierr)
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
! evaluate constitutive response
|
! evaluate constitutive response
|
||||||
P_avLastEval = P_av
|
P_avLastEval = P_av
|
||||||
call Utilities_constitutiveResponse(F_lastInc,F - residual_F_tau/polarBeta,params%timeinc, &
|
call Utilities_constitutiveResponse(residual_F,P_av,C_volAvg,C_minMaxAvg, &
|
||||||
residual_F,C_volAvg,C_minMaxAvg,P_av,ForwardData,params%rotation_BC)
|
F - residual_F_tau/polarBeta,params%timeinc,params%rotation_BC)
|
||||||
call MPI_Allreduce(MPI_IN_PLACE,terminallyIll,1,MPI_LOGICAL,MPI_LOR,PETSC_COMM_WORLD,ierr)
|
call MPI_Allreduce(MPI_IN_PLACE,terminallyIll,1,MPI_LOGICAL,MPI_LOR,PETSC_COMM_WORLD,ierr)
|
||||||
ForwardData = .False.
|
|
||||||
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
! calculate divergence
|
! calculate divergence
|
||||||
tensorField_real = 0.0_pReal
|
tensorField_real = 0.0_pReal
|
||||||
tensorField_real(1:3,1:3,1:grid(1),1:grid(2),1:grid3) = residual_F
|
tensorField_real(1:3,1:3,1:grid(1),1:grid(2),1:grid3) = residual_F !< stress field in disguise
|
||||||
call utilities_FFTtensorForward()
|
call utilities_FFTtensorForward()
|
||||||
err_div = Utilities_divergenceRMS()
|
err_div = Utilities_divergenceRMS() !< root mean squared error in divergence of stress
|
||||||
call utilities_FFTtensorBackward()
|
|
||||||
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
! constructing residual
|
! constructing residual
|
||||||
|
|
@ -471,8 +460,11 @@ subroutine Polarisation_formResidual(in,x_scal,f_scal,dummy,ierr)
|
||||||
tensorField_real(1:3,1:3,1:grid(1),1:grid(2),1:grid3) = F
|
tensorField_real(1:3,1:3,1:grid(1),1:grid(2),1:grid3) = F
|
||||||
call utilities_FFTtensorForward()
|
call utilities_FFTtensorForward()
|
||||||
err_curl = Utilities_curlRMS()
|
err_curl = Utilities_curlRMS()
|
||||||
call utilities_FFTtensorBackward()
|
|
||||||
|
|
||||||
|
nullify(F)
|
||||||
|
nullify(F_tau)
|
||||||
|
nullify(residual_F)
|
||||||
|
nullify(residual_F_tau)
|
||||||
end subroutine Polarisation_formResidual
|
end subroutine Polarisation_formResidual
|
||||||
|
|
||||||
|
|
||||||
|
|
@ -487,8 +479,8 @@ subroutine Polarisation_converged(snes_local,PETScIter,xnorm,snorm,fnorm,reason,
|
||||||
err_div_tolAbs, &
|
err_div_tolAbs, &
|
||||||
err_curl_tolRel, &
|
err_curl_tolRel, &
|
||||||
err_curl_tolAbs, &
|
err_curl_tolAbs, &
|
||||||
err_stress_tolAbs, &
|
err_stress_tolRel, &
|
||||||
err_stress_tolRel
|
err_stress_tolAbs
|
||||||
use math, only: &
|
use math, only: &
|
||||||
math_mul3333xx33
|
math_mul3333xx33
|
||||||
use FEsolving, only: &
|
use FEsolving, only: &
|
||||||
|
|
@ -507,24 +499,24 @@ subroutine Polarisation_converged(snes_local,PETScIter,xnorm,snorm,fnorm,reason,
|
||||||
real(pReal) :: &
|
real(pReal) :: &
|
||||||
curlTol, &
|
curlTol, &
|
||||||
divTol, &
|
divTol, &
|
||||||
BC_tol
|
BCTol
|
||||||
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
! stress BC handling
|
! stress BC handling
|
||||||
F_aim = F_aim - math_mul3333xx33(S, ((P_av - params%stress_BC))) ! S = 0.0 for no bc
|
F_aim = F_aim - math_mul3333xx33(S, ((P_av - params%stress_BC))) ! S = 0.0 for no bc
|
||||||
err_BC = maxval(abs((-mask_stress+1.0_pReal)*math_mul3333xx33(C_scale,F_aim-F_av) + &
|
err_BC = maxval(abs((1.0_pReal-mask_stress) * math_mul3333xx33(C_scale,F_aim-F_av) + &
|
||||||
mask_stress *(P_av - params%stress_BC))) ! mask = 0.0 for no bc
|
mask_stress * (P_av-params%stress_BC))) ! mask = 0.0 for no bc
|
||||||
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
! error calculation
|
! error calculation
|
||||||
curlTol = max(maxval(abs(F_aim-math_I3))*err_curl_tolRel,err_curl_tolAbs)
|
curlTol = max(maxval(abs(F_aim-math_I3))*err_curl_tolRel ,err_curl_tolAbs)
|
||||||
divTol = max(maxval(abs(P_av)) *err_div_tolRel,err_div_tolAbs)
|
divTol = max(maxval(abs(P_av)) *err_div_tolRel ,err_div_tolAbs)
|
||||||
BC_tol = max(maxval(abs(P_av)) *err_stress_tolrel,err_stress_tolabs)
|
BCTol = max(maxval(abs(P_av)) *err_stress_tolRel,err_stress_tolAbs)
|
||||||
|
|
||||||
converged: if ((totalIter >= itmin .and. &
|
converged: if ((totalIter >= itmin .and. &
|
||||||
all([ err_div/divTol, &
|
all([ err_div /divTol, &
|
||||||
err_curl/curlTol, &
|
err_curl/curlTol, &
|
||||||
err_BC/BC_tol ] < 1.0_pReal)) &
|
err_BC /BCTol ] < 1.0_pReal)) &
|
||||||
.or. terminallyIll) then
|
.or. terminallyIll) then
|
||||||
reason = 1
|
reason = 1
|
||||||
elseif (totalIter >= itmax) then converged
|
elseif (totalIter >= itmax) then converged
|
||||||
|
|
@ -536,12 +528,12 @@ subroutine Polarisation_converged(snes_local,PETScIter,xnorm,snorm,fnorm,reason,
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
! report
|
! report
|
||||||
write(6,'(1/,a)') ' ... reporting .............................................................'
|
write(6,'(1/,a)') ' ... reporting .............................................................'
|
||||||
write(6,'(/,a,f12.2,a,es8.2,a,es9.2,a)') ' error curl = ', &
|
write(6,'(/,a,f12.2,a,es8.2,a,es9.2,a)') ' error divergence = ', &
|
||||||
err_curl/curlTol,' (',err_curl,' -, tol =',curlTol,')'
|
err_div/divTol, ' (',err_div, ' / m, tol = ',divTol,')'
|
||||||
write(6,' (a,f12.2,a,es8.2,a,es9.2,a)') ' error divergence = ', &
|
write(6, '(a,f12.2,a,es8.2,a,es9.2,a)') ' error curl = ', &
|
||||||
err_div/divTol, ' (',err_div, ' / m, tol =',divTol,')'
|
err_curl/curlTol,' (',err_curl,' -, tol = ',curlTol,')'
|
||||||
write(6,' (a,f12.2,a,es8.2,a,es9.2,a)') ' error BC = ', &
|
write(6, '(a,f12.2,a,es8.2,a,es9.2,a)') ' error BC = ', &
|
||||||
err_BC/BC_tol, ' (',err_BC, ' Pa, tol =',BC_tol,')'
|
err_BC/BCTol, ' (',err_BC, ' Pa, tol = ',BCTol,')'
|
||||||
write(6,'(/,a)') ' ==========================================================================='
|
write(6,'(/,a)') ' ==========================================================================='
|
||||||
flush(6)
|
flush(6)
|
||||||
|
|
||||||
|
|
@ -549,6 +541,8 @@ end subroutine Polarisation_converged
|
||||||
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
!> @brief forwarding routine
|
!> @brief forwarding routine
|
||||||
|
!> @details find new boundary conditions and best F estimate for end of current timestep
|
||||||
|
!> possibly writing restart information, triggering of state increment in DAMASK, and updating of IPcoordinates
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
subroutine Polarisation_forward(guess,timeinc,timeinc_old,loadCaseTime,deformation_BC,stress_BC,rotation_BC)
|
subroutine Polarisation_forward(guess,timeinc,timeinc_old,loadCaseTime,deformation_BC,stress_BC,rotation_BC)
|
||||||
use math, only: &
|
use math, only: &
|
||||||
|
|
@ -558,9 +552,13 @@ subroutine Polarisation_forward(guess,timeinc,timeinc_old,loadCaseTime,deformati
|
||||||
math_rotate_backward33
|
math_rotate_backward33
|
||||||
use numerics, only: &
|
use numerics, only: &
|
||||||
worldrank
|
worldrank
|
||||||
|
use homogenization, only: &
|
||||||
|
materialpoint_F0
|
||||||
use mesh, only: &
|
use mesh, only: &
|
||||||
grid3, &
|
grid, &
|
||||||
grid
|
grid3
|
||||||
|
use CPFEM2, only: &
|
||||||
|
CPFEM_age
|
||||||
use spectral_utilities, only: &
|
use spectral_utilities, only: &
|
||||||
Utilities_calculateRate, &
|
Utilities_calculateRate, &
|
||||||
Utilities_forwardField, &
|
Utilities_forwardField, &
|
||||||
|
|
@ -573,6 +571,8 @@ subroutine Polarisation_forward(guess,timeinc,timeinc_old,loadCaseTime,deformati
|
||||||
restartWrite
|
restartWrite
|
||||||
|
|
||||||
implicit none
|
implicit none
|
||||||
|
logical, intent(in) :: &
|
||||||
|
guess
|
||||||
real(pReal), intent(in) :: &
|
real(pReal), intent(in) :: &
|
||||||
timeinc_old, &
|
timeinc_old, &
|
||||||
timeinc, &
|
timeinc, &
|
||||||
|
|
@ -580,111 +580,112 @@ subroutine Polarisation_forward(guess,timeinc,timeinc_old,loadCaseTime,deformati
|
||||||
type(tBoundaryCondition), intent(in) :: &
|
type(tBoundaryCondition), intent(in) :: &
|
||||||
stress_BC, &
|
stress_BC, &
|
||||||
deformation_BC
|
deformation_BC
|
||||||
real(pReal), dimension(3,3), intent(in) :: rotation_BC
|
real(pReal), dimension(3,3), intent(in) ::&
|
||||||
logical, intent(in) :: &
|
rotation_BC
|
||||||
guess
|
|
||||||
PetscErrorCode :: ierr
|
PetscErrorCode :: ierr
|
||||||
PetscScalar, dimension(:,:,:,:), pointer :: xx_psc, F, F_tau
|
PetscScalar, dimension(:,:,:,:), pointer :: FandF_tau, F, F_tau
|
||||||
integer(pInt) :: i, j, k
|
integer(pInt) :: i, j, k
|
||||||
real(pReal), dimension(3,3) :: F_lambda33
|
real(pReal), dimension(3,3) :: F_lambda33
|
||||||
character(len=1024) :: rankStr
|
character(len=32) :: rankStr
|
||||||
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
! update coordinates and rate and forward last inc
|
! update coordinates and rate and forward last inc
|
||||||
call DMDAVecGetArrayF90(da,solution_vec,xx_psc,ierr)
|
call DMDAVecGetArrayF90(da,solution_vec,FandF_tau,ierr); CHKERRQ(ierr)
|
||||||
F => xx_psc(0:8,:,:,:)
|
F => FandF_tau( 0: 8,:,:,:)
|
||||||
F_tau => xx_psc(9:17,:,:,:)
|
F_tau => FandF_tau( 9:17,:,:,:)
|
||||||
if (restartWrite) then
|
|
||||||
write(6,'(/,a)') ' writing converged results for restart'
|
|
||||||
flush(6)
|
|
||||||
write(rankStr,'(a1,i0)')'_',worldrank
|
|
||||||
call IO_write_jobRealFile(777,'F'//trim(rankStr),size(F)) ! writing deformation gradient field to file
|
|
||||||
write (777,rec=1) F
|
|
||||||
close (777)
|
|
||||||
call IO_write_jobRealFile(777,'F_lastInc'//trim(rankStr),size(F_lastInc)) ! writing F_lastInc field to file
|
|
||||||
write (777,rec=1) F_lastInc
|
|
||||||
close (777)
|
|
||||||
call IO_write_jobRealFile(777,'F_tau'//trim(rankStr),size(F_tau)) ! writing deformation gradient field to file
|
|
||||||
write (777,rec=1) F_tau
|
|
||||||
close (777)
|
|
||||||
call IO_write_jobRealFile(777,'F_tau_lastInc'//trim(rankStr),size(F_tau_lastInc)) ! writing F_lastInc field to file
|
|
||||||
write (777,rec=1) F_tau_lastInc
|
|
||||||
close (777)
|
|
||||||
if (worldrank == 0_pInt) then
|
|
||||||
call IO_write_jobRealFile(777,'F_aim',size(F_aim))
|
|
||||||
write (777,rec=1) F_aim
|
|
||||||
close(777)
|
|
||||||
call IO_write_jobRealFile(777,'F_aim_lastInc',size(F_aim_lastInc))
|
|
||||||
write (777,rec=1) F_aim_lastInc
|
|
||||||
close (777)
|
|
||||||
call IO_write_jobRealFile(777,'F_aimDot',size(F_aimDot))
|
|
||||||
write (777,rec=1) F_aimDot
|
|
||||||
close(777)
|
|
||||||
call IO_write_jobRealFile(777,'C_volAvg',size(C_volAvg))
|
|
||||||
write (777,rec=1) C_volAvg
|
|
||||||
close(777)
|
|
||||||
call IO_write_jobRealFile(777,'C_volAvgLastInc',size(C_volAvgLastInc))
|
|
||||||
write (777,rec=1) C_volAvgLastInc
|
|
||||||
close(777)
|
|
||||||
endif
|
|
||||||
endif
|
|
||||||
|
|
||||||
call utilities_updateIPcoords(F)
|
|
||||||
|
|
||||||
if (cutBack) then
|
if (cutBack) then
|
||||||
F_aim = F_aim_lastInc
|
C_volAvg = C_volAvgLastInc ! QUESTION: where is this required?
|
||||||
F_tau= reshape(F_tau_lastInc,[9,grid(1),grid(2),grid3])
|
C_minMaxAvg = C_minMaxAvgLastInc ! QUESTION: where is this required?
|
||||||
F = reshape(F_lastInc, [9,grid(1),grid(2),grid3])
|
|
||||||
C_volAvg = C_volAvgLastInc
|
|
||||||
else
|
else
|
||||||
ForwardData = .True.
|
!--------------------------------------------------------------------------------------------------
|
||||||
C_volAvgLastInc = C_volAvg
|
! restart information for spectral solver
|
||||||
!--------------------------------------------------------------------------------------------------
|
if (restartWrite) then ! QUESTION: where is this logical properly set?
|
||||||
! calculate rate for aim
|
write(6,'(/,a)') ' writing converged results for restart'
|
||||||
if (deformation_BC%myType=='l') then ! calculate f_aimDot from given L and current F
|
flush(6)
|
||||||
f_aimDot = deformation_BC%maskFloat * math_mul33x33(deformation_BC%values, F_aim)
|
|
||||||
elseif(deformation_BC%myType=='fdot') then ! f_aimDot is prescribed
|
|
||||||
f_aimDot = deformation_BC%maskFloat * deformation_BC%values
|
|
||||||
elseif(deformation_BC%myType=='f') then ! aim at end of load case is prescribed
|
|
||||||
f_aimDot = deformation_BC%maskFloat * (deformation_BC%values -F_aim)/loadCaseTime
|
|
||||||
endif
|
|
||||||
if (guess) f_aimDot = f_aimDot + stress_BC%maskFloat * (F_aim - F_aim_lastInc)/timeinc_old
|
|
||||||
F_aim_lastInc = F_aim
|
|
||||||
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
if (worldrank == 0_pInt) then
|
||||||
! update coordinates and rate and forward last inc
|
call IO_write_jobRealFile(777,'C_volAvg',size(C_volAvg))
|
||||||
|
write (777,rec=1) C_volAvg; close(777)
|
||||||
|
call IO_write_jobRealFile(777,'C_volAvgLastInc',size(C_volAvgLastInc))
|
||||||
|
write (777,rec=1) C_volAvgLastInc; close(777)
|
||||||
|
call IO_write_jobRealFile(777,'F_aimDot',size(F_aimDot))
|
||||||
|
write (777,rec=1) F_aimDot; close(777)
|
||||||
|
endif
|
||||||
|
|
||||||
|
write(rankStr,'(a1,i0)')'_',worldrank
|
||||||
|
call IO_write_jobRealFile(777,'F'//trim(rankStr),size(F)) ! writing deformation gradient field to file
|
||||||
|
write (777,rec=1) F; close (777)
|
||||||
|
call IO_write_jobRealFile(777,'F_lastInc'//trim(rankStr),size(F_lastInc)) ! writing F_lastInc field to file
|
||||||
|
write (777,rec=1) F_lastInc; close (777)
|
||||||
|
call IO_write_jobRealFile(777,'F_tau'//trim(rankStr),size(F_tau)) ! writing deformation gradient field to file
|
||||||
|
write (777,rec=1) F_tau; close (777)
|
||||||
|
call IO_write_jobRealFile(777,'F_tau_lastInc'//trim(rankStr),size(F_tau_lastInc)) ! writing F_tau_lastInc field to file
|
||||||
|
write (777,rec=1) F_tau_lastInc; close (777)
|
||||||
|
endif
|
||||||
|
|
||||||
|
call CPFEM_age() ! age state and kinematics
|
||||||
call utilities_updateIPcoords(F)
|
call utilities_updateIPcoords(F)
|
||||||
Fdot = Utilities_calculateRate(math_rotate_backward33(f_aimDot,rotation_BC), &
|
|
||||||
timeinc_old,guess,F_lastInc, &
|
C_volAvgLastInc = C_volAvg
|
||||||
reshape(F,[3,3,grid(1),grid(2),grid3]))
|
C_minMaxAvgLastInc = C_minMaxAvg
|
||||||
F_tauDot = Utilities_calculateRate(math_rotate_backward33(2.0_pReal*f_aimDot,rotation_BC), &
|
|
||||||
timeinc_old,guess,F_tau_lastInc, &
|
if (guess) then ! QUESTION: better with a = L ? x:y
|
||||||
reshape(F_tau,[3,3,grid(1),grid(2),grid3]))
|
F_aimDot = stress_BC%maskFloat * (F_aim - F_aim_lastInc)/timeinc_old ! initialize with correction based on last inc
|
||||||
F_lastInc = reshape(F, [3,3,grid(1),grid(2),grid3])
|
else
|
||||||
F_tau_lastInc = reshape(F_tau,[3,3,grid(1),grid(2),grid3])
|
F_aimDot = 0.0_pReal
|
||||||
|
endif
|
||||||
|
F_aim_lastInc = F_aim
|
||||||
|
!--------------------------------------------------------------------------------------------------
|
||||||
|
! calculate rate for aim
|
||||||
|
if (deformation_BC%myType=='l') then ! calculate F_aimDot from given L and current F
|
||||||
|
F_aimDot = &
|
||||||
|
F_aimDot + deformation_BC%maskFloat * math_mul33x33(deformation_BC%values, F_aim_lastInc)
|
||||||
|
elseif(deformation_BC%myType=='fdot') then ! F_aimDot is prescribed
|
||||||
|
F_aimDot = &
|
||||||
|
F_aimDot + deformation_BC%maskFloat * deformation_BC%values
|
||||||
|
elseif (deformation_BC%myType=='f') then ! aim at end of load case is prescribed
|
||||||
|
F_aimDot = &
|
||||||
|
F_aimDot + deformation_BC%maskFloat * (deformation_BC%values - F_aim_lastInc)/loadCaseTime
|
||||||
endif
|
endif
|
||||||
|
|
||||||
F_aim = F_aim + f_aimDot * timeinc
|
|
||||||
|
Fdot = Utilities_calculateRate(guess, &
|
||||||
|
F_lastInc,reshape(F,[3,3,grid(1),grid(2),grid3]),timeinc_old, &
|
||||||
|
math_rotate_backward33(F_aimDot,rotation_BC))
|
||||||
|
F_tauDot = Utilities_calculateRate(guess, &
|
||||||
|
F_tau_lastInc,reshape(F_tau,[3,3,grid(1),grid(2),grid3]), timeinc_old, &
|
||||||
|
math_rotate_backward33(F_aimDot,rotation_BC))
|
||||||
|
F_lastInc = reshape(F, [3,3,grid(1),grid(2),grid3]) ! winding F forward
|
||||||
|
F_tau_lastInc = reshape(F_tau, [3,3,grid(1),grid(2),grid3]) ! winding F_tau forward
|
||||||
|
materialpoint_F0 = reshape(F_lastInc, [3,3,1,product(grid(1:2))*grid3]) ! set starting condition for materialpoint_stressAndItsTangent
|
||||||
|
endif
|
||||||
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
! update local deformation gradient
|
! update average and local deformation gradients
|
||||||
F = reshape(Utilities_forwardField(timeinc,F_lastInc,Fdot, & ! ensure that it matches rotated F_aim
|
F_aim = F_aim_lastInc + F_aimDot * timeinc
|
||||||
math_rotate_backward33(F_aim,rotation_BC)), &
|
|
||||||
|
F = reshape(Utilities_forwardField(timeinc,F_lastInc,Fdot, & ! estimate of F at end of time+timeinc that matches rotated F_aim on average
|
||||||
|
math_rotate_backward33(F_aim,rotation_BC)),&
|
||||||
[9,grid(1),grid(2),grid3])
|
[9,grid(1),grid(2),grid3])
|
||||||
F_tau = reshape(Utilities_forwardField(timeinc,F_tau_lastInc,F_taudot), & ! does not have any average value as boundary condition
|
if (guess) then
|
||||||
[9,grid(1),grid(2),grid3])
|
F_tau = reshape(Utilities_forwardField(timeinc,F_tau_lastInc,F_taudot), &
|
||||||
if (.not. guess) then ! large strain forwarding
|
[9,grid(1),grid(2),grid3]) ! does not have any average value as boundary condition
|
||||||
|
else
|
||||||
do k = 1_pInt, grid3; do j = 1_pInt, grid(2); do i = 1_pInt, grid(1)
|
do k = 1_pInt, grid3; do j = 1_pInt, grid(2); do i = 1_pInt, grid(1)
|
||||||
F_lambda33 = reshape(F_tau(1:9,i,j,k)-F(1:9,i,j,k),[3,3])
|
F_lambda33 = reshape(F_tau(1:9,i,j,k)-F(1:9,i,j,k),[3,3])
|
||||||
F_lambda33 = math_mul3333xx33(S_scale,math_mul33x33(F_lambda33, &
|
F_lambda33 = math_mul3333xx33(S_scale,math_mul33x33(F_lambda33, &
|
||||||
math_mul3333xx33(C_scale,&
|
math_mul3333xx33(C_scale,&
|
||||||
math_mul33x33(math_transpose33(F_lambda33),&
|
math_mul33x33(math_transpose33(F_lambda33),&
|
||||||
F_lambda33) -math_I3))*0.5_pReal)&
|
F_lambda33)-math_I3))*0.5_pReal)&
|
||||||
+ math_I3
|
+ math_I3
|
||||||
F_tau(1:9,i,j,k) = reshape(F_lambda33,[9])+F(1:9,i,j,k)
|
F_tau(1:9,i,j,k) = reshape(F_lambda33,[9])+F(1:9,i,j,k)
|
||||||
enddo; enddo; enddo
|
enddo; enddo; enddo
|
||||||
endif
|
endif
|
||||||
call DMDAVecRestoreArrayF90(da,solution_vec,xx_psc,ierr); CHKERRQ(ierr)
|
|
||||||
|
nullify(F)
|
||||||
|
nullify(F_tau)
|
||||||
|
call DMDAVecRestoreArrayF90(da,solution_vec,FandF_tau,ierr); CHKERRQ(ierr)
|
||||||
|
|
||||||
end subroutine Polarisation_forward
|
end subroutine Polarisation_forward
|
||||||
|
|
||||||
|
|
|
||||||
|
|
@ -16,7 +16,7 @@ module spectral_utilities
|
||||||
#include <petsc/finclude/petscsys.h>
|
#include <petsc/finclude/petscsys.h>
|
||||||
include 'fftw3-mpi.f03'
|
include 'fftw3-mpi.f03'
|
||||||
|
|
||||||
logical, public :: cutBack =.false. !< cut back of BVP solver in case convergence is not achieved or a material point is terminally ill
|
logical, public :: cutBack = .false. !< cut back of BVP solver in case convergence is not achieved or a material point is terminally ill
|
||||||
integer(pInt), public, parameter :: maxPhaseFields = 2_pInt
|
integer(pInt), public, parameter :: maxPhaseFields = 2_pInt
|
||||||
integer(pInt), public :: nActiveFields = 0_pInt
|
integer(pInt), public :: nActiveFields = 0_pInt
|
||||||
|
|
||||||
|
|
@ -145,8 +145,7 @@ module spectral_utilities
|
||||||
FIELD_UNDEFINED_ID, &
|
FIELD_UNDEFINED_ID, &
|
||||||
FIELD_MECH_ID, &
|
FIELD_MECH_ID, &
|
||||||
FIELD_THERMAL_ID, &
|
FIELD_THERMAL_ID, &
|
||||||
FIELD_DAMAGE_ID, &
|
FIELD_DAMAGE_ID
|
||||||
utilities_calcPlasticity
|
|
||||||
private :: &
|
private :: &
|
||||||
utilities_getFreqDerivative
|
utilities_getFreqDerivative
|
||||||
|
|
||||||
|
|
@ -154,9 +153,9 @@ contains
|
||||||
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
!> @brief allocates all neccessary fields, sets debug flags, create plans for FFTW
|
!> @brief allocates all neccessary fields, sets debug flags, create plans for FFTW
|
||||||
!> @details Sets the debug levels for general, divergence, restart and FFTW from the biwise coding
|
!> @details Sets the debug levels for general, divergence, restart, and FFTW from the bitwise coding
|
||||||
!> provided by the debug module to logicals.
|
!> provided by the debug module to logicals.
|
||||||
!> Allocates all fields used by FFTW and create the corresponding plans depending on the debug
|
!> Allocate all fields used by FFTW and create the corresponding plans depending on the debug
|
||||||
!> level chosen.
|
!> level chosen.
|
||||||
!> Initializes FFTW.
|
!> Initializes FFTW.
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
|
|
@ -378,10 +377,10 @@ end subroutine utilities_init
|
||||||
|
|
||||||
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
!> @brief updates references stiffness and potentially precalculated gamma operator
|
!> @brief updates reference stiffness and potentially precalculated gamma operator
|
||||||
!> @details Sets the current reference stiffness to the stiffness given as an argument.
|
!> @details Sets the current reference stiffness to the stiffness given as an argument.
|
||||||
!> If the gamma operator is precalculated, it is calculated with this stiffness.
|
!> If the gamma operator is precalculated, it is calculated with this stiffness.
|
||||||
!> In case of a on-the-fly calculation, only the reference stiffness is updated.
|
!> In case of an on-the-fly calculation, only the reference stiffness is updated.
|
||||||
!> Also writes out the current reference stiffness for restart.
|
!> Also writes out the current reference stiffness for restart.
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
subroutine utilities_updateGamma(C,saveReference)
|
subroutine utilities_updateGamma(C,saveReference)
|
||||||
|
|
@ -414,8 +413,7 @@ subroutine utilities_updateGamma(C,saveReference)
|
||||||
write(6,'(/,a)') ' writing reference stiffness to file'
|
write(6,'(/,a)') ' writing reference stiffness to file'
|
||||||
flush(6)
|
flush(6)
|
||||||
call IO_write_jobRealFile(777,'C_ref',size(C_ref))
|
call IO_write_jobRealFile(777,'C_ref',size(C_ref))
|
||||||
write (777,rec=1) C_ref
|
write (777,rec=1) C_ref; close(777)
|
||||||
close(777)
|
|
||||||
endif
|
endif
|
||||||
endif
|
endif
|
||||||
|
|
||||||
|
|
@ -800,7 +798,7 @@ function utilities_maskedCompliance(rot_BC,mask_stress,C)
|
||||||
|
|
||||||
call math_invert(size_reduced, c_reduced, s_reduced, errmatinv) ! invert reduced stiffness
|
call math_invert(size_reduced, c_reduced, s_reduced, errmatinv) ! invert reduced stiffness
|
||||||
if (any(IEEE_is_NaN(s_reduced))) errmatinv = .true.
|
if (any(IEEE_is_NaN(s_reduced))) errmatinv = .true.
|
||||||
if(errmatinv) call IO_error(error_ID=400_pInt,ext_msg='utilities_maskedCompliance')
|
if (errmatinv) call IO_error(error_ID=400_pInt,ext_msg='utilities_maskedCompliance')
|
||||||
temp99_Real = 0.0_pReal ! fill up compliance with zeros
|
temp99_Real = 0.0_pReal ! fill up compliance with zeros
|
||||||
k = 0_pInt
|
k = 0_pInt
|
||||||
do n = 1_pInt,9_pInt
|
do n = 1_pInt,9_pInt
|
||||||
|
|
@ -818,28 +816,30 @@ function utilities_maskedCompliance(rot_BC,mask_stress,C)
|
||||||
sTimesC = matmul(c_reduced,s_reduced)
|
sTimesC = matmul(c_reduced,s_reduced)
|
||||||
do m=1_pInt, size_reduced
|
do m=1_pInt, size_reduced
|
||||||
do n=1_pInt, size_reduced
|
do n=1_pInt, size_reduced
|
||||||
if(m==n .and. abs(sTimesC(m,n)) > (1.0_pReal + 10.0e-12_pReal)) errmatinv = .true. ! diagonal elements of S*C should be 1
|
errmatinv = errmatinv &
|
||||||
if(m/=n .and. abs(sTimesC(m,n)) > (0.0_pReal + 10.0e-12_pReal)) errmatinv = .true. ! off diagonal elements of S*C should be 0
|
.or. (m==n .and. abs(sTimesC(m,n)-1.0_pReal) > 1.0e-12_pReal) & ! diagonal elements of S*C should be 1
|
||||||
|
.or. (m/=n .and. abs(sTimesC(m,n)) > 1.0e-12_pReal) ! off-diagonal elements of S*C should be 0
|
||||||
enddo
|
enddo
|
||||||
enddo
|
enddo
|
||||||
if(debugGeneral .or. errmatinv) then
|
if (debugGeneral .or. errmatinv) then
|
||||||
write(formatString, '(I16.16)') size_reduced
|
write(formatString, '(i2)') size_reduced
|
||||||
formatString = '(/,a,/,'//trim(formatString)//'('//trim(formatString)//'(2x,es9.2,1x)/))'
|
formatString = '(/,a,/,'//trim(formatString)//'('//trim(formatString)//'(2x,es9.2,1x)/))'
|
||||||
write(6,trim(formatString),advance='no') ' C * S (load) ', &
|
write(6,trim(formatString),advance='no') ' C * S (load) ', &
|
||||||
transpose(matmul(c_reduced,s_reduced))
|
transpose(matmul(c_reduced,s_reduced))
|
||||||
write(6,trim(formatString),advance='no') ' S (load) ', transpose(s_reduced)
|
write(6,trim(formatString),advance='no') ' S (load) ', transpose(s_reduced)
|
||||||
endif
|
|
||||||
if(errmatinv) call IO_error(error_ID=400_pInt,ext_msg='utilities_maskedCompliance')
|
if(errmatinv) call IO_error(error_ID=400_pInt,ext_msg='utilities_maskedCompliance')
|
||||||
|
endif
|
||||||
deallocate(c_reduced)
|
deallocate(c_reduced)
|
||||||
deallocate(s_reduced)
|
deallocate(s_reduced)
|
||||||
deallocate(sTimesC)
|
deallocate(sTimesC)
|
||||||
else
|
else
|
||||||
temp99_real = 0.0_pReal
|
temp99_real = 0.0_pReal
|
||||||
endif
|
endif
|
||||||
if(debugGeneral) &
|
if(debugGeneral) then
|
||||||
write(6,'(/,a,/,9(9(2x,f12.7,1x)/),/)',advance='no') ' Masked Compliance (load) * GPa =', &
|
write(6,'(/,a,/,9(9(2x,f10.5,1x)/),/)',advance='no') &
|
||||||
transpose(temp99_Real*1.e9_pReal)
|
' Masked Compliance (load) / GPa =', transpose(temp99_Real*1.e-9_pReal)
|
||||||
flush(6)
|
flush(6)
|
||||||
|
endif
|
||||||
utilities_maskedCompliance = math_Plain99to3333(temp99_Real)
|
utilities_maskedCompliance = math_Plain99to3333(temp99_Real)
|
||||||
|
|
||||||
end function utilities_maskedCompliance
|
end function utilities_maskedCompliance
|
||||||
|
|
@ -925,10 +925,10 @@ end subroutine utilities_fourierTensorDivergence
|
||||||
|
|
||||||
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
!> @brief calculates constitutive response
|
!> @brief calculate constitutive response from materialpoint_F0 to F during timeinc
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
subroutine utilities_constitutiveResponse(F_lastInc,F,timeinc, &
|
subroutine utilities_constitutiveResponse(P,P_av,C_volAvg,C_minmaxAvg,&
|
||||||
P,C_volAvg,C_minmaxAvg,P_av,forwardData,rotation_BC)
|
F,timeinc,rotation_BC)
|
||||||
use IO, only: &
|
use IO, only: &
|
||||||
IO_error
|
IO_error
|
||||||
use debug, only: &
|
use debug, only: &
|
||||||
|
|
@ -941,30 +941,21 @@ subroutine utilities_constitutiveResponse(F_lastInc,F,timeinc, &
|
||||||
use mesh, only: &
|
use mesh, only: &
|
||||||
grid,&
|
grid,&
|
||||||
grid3
|
grid3
|
||||||
use FEsolving, only: &
|
|
||||||
restartWrite
|
|
||||||
use CPFEM2, only: &
|
|
||||||
CPFEM_general
|
|
||||||
use homogenization, only: &
|
use homogenization, only: &
|
||||||
materialpoint_F0, &
|
|
||||||
materialpoint_F, &
|
materialpoint_F, &
|
||||||
materialpoint_P, &
|
materialpoint_P, &
|
||||||
materialpoint_dPdF
|
materialpoint_dPdF, &
|
||||||
|
materialpoint_stressAndItsTangent
|
||||||
|
|
||||||
implicit none
|
implicit none
|
||||||
real(pReal), intent(in), dimension(3,3,grid(1),grid(2),grid3) :: &
|
|
||||||
F_lastInc, & !< target deformation gradient
|
|
||||||
F !< previous deformation gradient
|
|
||||||
real(pReal), intent(in) :: timeinc !< loading time
|
|
||||||
logical, intent(in) :: forwardData !< age results
|
|
||||||
real(pReal), intent(in), dimension(3,3) :: rotation_BC !< rotation of load frame
|
|
||||||
|
|
||||||
real(pReal),intent(out), dimension(3,3,3,3) :: C_volAvg, C_minmaxAvg !< average stiffness
|
real(pReal),intent(out), dimension(3,3,3,3) :: C_volAvg, C_minmaxAvg !< average stiffness
|
||||||
real(pReal),intent(out), dimension(3,3) :: P_av !< average PK stress
|
real(pReal),intent(out), dimension(3,3) :: P_av !< average PK stress
|
||||||
real(pReal),intent(out), dimension(3,3,grid(1),grid(2),grid3) :: P !< PK stress
|
real(pReal),intent(out), dimension(3,3,grid(1),grid(2),grid3) :: P !< PK stress
|
||||||
|
|
||||||
logical :: &
|
real(pReal), intent(in), dimension(3,3,grid(1),grid(2),grid3) :: F !< deformation gradient target !< previous deformation gradient
|
||||||
age
|
real(pReal), intent(in) :: timeinc !< loading time
|
||||||
|
real(pReal), intent(in), dimension(3,3) :: rotation_BC !< rotation of load frame
|
||||||
|
|
||||||
|
|
||||||
integer(pInt) :: &
|
integer(pInt) :: &
|
||||||
j,k,ierr
|
j,k,ierr
|
||||||
|
|
@ -976,16 +967,8 @@ subroutine utilities_constitutiveResponse(F_lastInc,F,timeinc, &
|
||||||
|
|
||||||
write(6,'(/,a)') ' ... evaluating constitutive response ......................................'
|
write(6,'(/,a)') ' ... evaluating constitutive response ......................................'
|
||||||
flush(6)
|
flush(6)
|
||||||
age = .False.
|
|
||||||
|
|
||||||
if (forwardData) then ! aging results
|
materialpoint_F = reshape(F,[3,3,1,product(grid(1:2))*grid3]) ! set materialpoint target F to estimated field
|
||||||
age = .True.
|
|
||||||
materialpoint_F0 = reshape(F_lastInc, [3,3,1,product(grid(1:2))*grid3])
|
|
||||||
endif
|
|
||||||
if (cutBack) age = .False. ! restore saved variables
|
|
||||||
|
|
||||||
materialpoint_F = reshape(F,[3,3,1,product(grid(1:2))*grid3])
|
|
||||||
call debug_reset() ! this has no effect on rank >0
|
|
||||||
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
! calculate bounds of det(F) and report
|
! calculate bounds of det(F) and report
|
||||||
|
|
@ -1003,7 +986,19 @@ subroutine utilities_constitutiveResponse(F_lastInc,F,timeinc, &
|
||||||
flush(6)
|
flush(6)
|
||||||
endif
|
endif
|
||||||
|
|
||||||
call CPFEM_general(age,timeinc)
|
call debug_reset() ! this has no effect on rank >0
|
||||||
|
call materialpoint_stressAndItsTangent(.true.,timeinc) ! calculate P field
|
||||||
|
|
||||||
|
P = reshape(materialpoint_P, [3,3,grid(1),grid(2),grid3])
|
||||||
|
P_av = sum(sum(sum(P,dim=5),dim=4),dim=3) * wgt ! average of P
|
||||||
|
call MPI_Allreduce(MPI_IN_PLACE,P_av,9,MPI_DOUBLE,MPI_SUM,PETSC_COMM_WORLD,ierr)
|
||||||
|
if (debugRotation) &
|
||||||
|
write(6,'(/,a,/,3(3(2x,f12.4,1x)/))',advance='no') ' Piola--Kirchhoff stress (lab) / MPa =',&
|
||||||
|
math_transpose33(P_av)*1.e-6_pReal
|
||||||
|
P_av = math_rotate_forward33(P_av,rotation_BC)
|
||||||
|
write(6,'(/,a,/,3(3(2x,f12.4,1x)/))',advance='no') ' Piola--Kirchhoff stress / MPa =',&
|
||||||
|
math_transpose33(P_av)*1.e-6_pReal
|
||||||
|
flush(6)
|
||||||
|
|
||||||
max_dPdF = 0.0_pReal
|
max_dPdF = 0.0_pReal
|
||||||
max_dPdF_norm = 0.0_pReal
|
max_dPdF_norm = 0.0_pReal
|
||||||
|
|
@ -1021,157 +1016,24 @@ subroutine utilities_constitutiveResponse(F_lastInc,F,timeinc, &
|
||||||
end do
|
end do
|
||||||
|
|
||||||
call MPI_Allreduce(MPI_IN_PLACE,max_dPdF,81,MPI_DOUBLE,MPI_MAX,PETSC_COMM_WORLD,ierr)
|
call MPI_Allreduce(MPI_IN_PLACE,max_dPdF,81,MPI_DOUBLE,MPI_MAX,PETSC_COMM_WORLD,ierr)
|
||||||
if(ierr /=0_pInt) call IO_error(894_pInt, ext_msg='MPI_Allreduce max')
|
if (ierr /= 0_pInt) call IO_error(894_pInt, ext_msg='MPI_Allreduce max')
|
||||||
call MPI_Allreduce(MPI_IN_PLACE,min_dPdF,81,MPI_DOUBLE,MPI_MIN,PETSC_COMM_WORLD,ierr)
|
call MPI_Allreduce(MPI_IN_PLACE,min_dPdF,81,MPI_DOUBLE,MPI_MIN,PETSC_COMM_WORLD,ierr)
|
||||||
if(ierr /=0_pInt) call IO_error(894_pInt, ext_msg='MPI_Allreduce min')
|
if (ierr /= 0_pInt) call IO_error(894_pInt, ext_msg='MPI_Allreduce min')
|
||||||
|
|
||||||
C_minmaxAvg = 0.5_pReal*(max_dPdF + min_dPdF)
|
C_minmaxAvg = 0.5_pReal*(max_dPdF + min_dPdF)
|
||||||
C_volAvg = sum(sum(materialpoint_dPdF,dim=6),dim=5) * wgt
|
|
||||||
|
|
||||||
|
C_volAvg = sum(sum(materialpoint_dPdF,dim=6),dim=5) * wgt
|
||||||
call MPI_Allreduce(MPI_IN_PLACE,C_volAvg,81,MPI_DOUBLE,MPI_SUM,PETSC_COMM_WORLD,ierr)
|
call MPI_Allreduce(MPI_IN_PLACE,C_volAvg,81,MPI_DOUBLE,MPI_SUM,PETSC_COMM_WORLD,ierr)
|
||||||
|
|
||||||
call debug_info() ! this has no effect on rank >0
|
call debug_info() ! this has no effect on rank >0
|
||||||
|
|
||||||
restartWrite = .false. ! reset restartWrite status
|
|
||||||
cutBack = .false. ! reset cutBack status
|
|
||||||
|
|
||||||
P = reshape(materialpoint_P, [3,3,grid(1),grid(2),grid3])
|
|
||||||
P_av = sum(sum(sum(P,dim=5),dim=4),dim=3) * wgt ! average of P
|
|
||||||
call MPI_Allreduce(MPI_IN_PLACE,P_av,9,MPI_DOUBLE,MPI_SUM,PETSC_COMM_WORLD,ierr)
|
|
||||||
if (debugRotation) &
|
|
||||||
write(6,'(/,a,/,3(3(2x,f12.4,1x)/))',advance='no') ' Piola--Kirchhoff stress (lab) / MPa =',&
|
|
||||||
math_transpose33(P_av)*1.e-6_pReal
|
|
||||||
P_av = math_rotate_forward33(P_av,rotation_BC)
|
|
||||||
write(6,'(/,a,/,3(3(2x,f12.4,1x)/))',advance='no') ' Piola--Kirchhoff stress / MPa =',&
|
|
||||||
math_transpose33(P_av)*1.e-6_pReal
|
|
||||||
flush(6)
|
|
||||||
|
|
||||||
end subroutine utilities_constitutiveResponse
|
end subroutine utilities_constitutiveResponse
|
||||||
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
|
||||||
!> @brief calculates yield stress, plastic strain, total strain and their equivalent values
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
|
||||||
subroutine utilities_calcPlasticity(yieldStress, plasticStrain, eqStress, eqTotalStrain, &
|
|
||||||
eqPlasticStrain, plasticWork, rotation_BC)
|
|
||||||
use crystallite, only: &
|
|
||||||
crystallite_Fe, &
|
|
||||||
crystallite_P, &
|
|
||||||
crystallite_subF
|
|
||||||
use material, only: &
|
|
||||||
homogenization_maxNgrains
|
|
||||||
use mesh, only: &
|
|
||||||
mesh_maxNips,&
|
|
||||||
mesh_NcpElems
|
|
||||||
use math, only: &
|
|
||||||
math_det33, &
|
|
||||||
math_inv33, &
|
|
||||||
math_mul33x33, &
|
|
||||||
math_trace33, &
|
|
||||||
math_transpose33, &
|
|
||||||
math_equivStrain33, &
|
|
||||||
math_equivStress33, &
|
|
||||||
math_rotate_forward33, &
|
|
||||||
math_identity2nd, &
|
|
||||||
math_crossproduct, &
|
|
||||||
math_eigenvectorBasisSym, &
|
|
||||||
math_eigenvectorBasisSym33, &
|
|
||||||
math_eigenvectorBasisSym33_log, &
|
|
||||||
math_eigenValuesVectorsSym33
|
|
||||||
|
|
||||||
implicit none
|
|
||||||
|
|
||||||
real(pReal), intent(inout) :: eqStress, eqPlasticStrain, plasticWork
|
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||||||
real(pReal), intent(out) :: eqTotalStrain
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||||||
real(pReal), dimension(3,3),intent(out) :: yieldStress, plasticStrain
|
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||||||
real(pReal), intent(in), dimension(3,3) :: rotation_BC !< rotation of load frame
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||||||
real(pReal), dimension(3,3) :: cauchy, P_av, F_av, Ve_av !< average
|
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||||||
real(pReal), dimension(3) :: Values, S
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||||||
real(pReal), dimension(3,3) :: Vectors, diag
|
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||||||
real(pReal), dimension(3,3) :: &
|
|
||||||
Vp, F_temp, U, VT, R, V, V_total
|
|
||||||
real(pReal), dimension(3,3,homogenization_maxNgrains,mesh_maxNips,mesh_NcpElems) :: &
|
|
||||||
Be, Ve, Fe
|
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||||||
real(pReal), dimension(15) :: WORK !< previous deformation gradient
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||||||
integer(pInt) :: INFO, i, j, k, l, ierr
|
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||||||
real(pReal) :: wgtm
|
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||||||
real(pReal) :: eqStressOld, eqPlasticStrainOld, plasticWorkOld
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||||||
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external :: dgesvd
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eqStressOld = eqStress
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eqPlasticStrainOld = eqPlasticStrain
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plasticWorkOld = plasticWork
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|
||||||
wgtm = 1.0_pReal/real(mesh_NcpElems*mesh_maxNips*homogenization_maxNgrains,pReal)
|
|
||||||
diag = 0.0_pReal
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||||||
|
|
||||||
P_av = sum(sum(sum(crystallite_P,dim=5),dim=4),dim=3) * wgtm
|
|
||||||
call MPI_Allreduce(MPI_IN_PLACE,P_av,9,MPI_DOUBLE,MPI_SUM,PETSC_COMM_WORLD,ierr)
|
|
||||||
P_av = math_rotate_forward33(P_av,rotation_BC)
|
|
||||||
|
|
||||||
F_av = sum(sum(sum(crystallite_subF,dim=5),dim=4),dim=3) * wgtm
|
|
||||||
call MPI_Allreduce(MPI_IN_PLACE,F_av,9,MPI_DOUBLE,MPI_SUM,PETSC_COMM_WORLD,ierr)
|
|
||||||
F_av = math_rotate_forward33(F_av,rotation_BC)
|
|
||||||
|
|
||||||
cauchy = 1.0_pReal/math_det33(F_av)*math_mul33x33(P_av,transpose(F_av))
|
|
||||||
yieldStress = cauchy
|
|
||||||
eqStress = math_equivStress33(cauchy)
|
|
||||||
|
|
||||||
F_temp = F_av
|
|
||||||
call dgesvd ('A', 'A', 3, 3, F_temp, 3, S, U, 3, VT, 3, WORK, 15, INFO) ! singular value decomposition
|
|
||||||
|
|
||||||
R = math_mul33x33(U, VT) ! rotation of polar decomposition
|
|
||||||
V = math_mul33x33(F_av,math_inv33(R))
|
|
||||||
|
|
||||||
call math_eigenValuesVectorsSym33(V,Values,Vectors)
|
|
||||||
do l = 1_pInt, 3_pInt
|
|
||||||
if (Values(l) < 0.0_pReal) then
|
|
||||||
Values(l) = -Values(l)
|
|
||||||
Vectors(1:3, l) = -Vectors(1:3, l)
|
|
||||||
endif
|
|
||||||
Values(l) = log(Values(l))
|
|
||||||
diag(l,l) = Values(l)
|
|
||||||
enddo
|
|
||||||
if (dot_product(Vectors(1:3,1),Vectors(1:3,2)) /= 0) then
|
|
||||||
Vectors(1:3,2) = math_crossproduct(Vectors(1:3,3), Vectors(1:3,1))
|
|
||||||
Vectors(1:3,2) = Vectors(1:3,2)/sqrt(dot_product(Vectors(1:3,2),Vectors(1:3,2)))
|
|
||||||
endif
|
|
||||||
if (dot_product(Vectors(1:3,2),Vectors(1:3,3)) /= 0) then
|
|
||||||
Vectors(1:3,3) = math_crossproduct(Vectors(1:3,1), Vectors(1:3,2))
|
|
||||||
Vectors(1:3,3) = Vectors(1:3,3)/sqrt(dot_product(Vectors(1:3,3),Vectors(1:3,3)))
|
|
||||||
endif
|
|
||||||
if (dot_product(Vectors(1:3,3),Vectors(1:3,1)) /= 0) then
|
|
||||||
Vectors(1:3,1) = math_crossproduct(Vectors(1:3,2), Vectors(1:3,3))
|
|
||||||
Vectors(1:3,1) = Vectors(1:3,1)/sqrt(dot_product(Vectors(1:3,1),Vectors(1:3,1)))
|
|
||||||
endif
|
|
||||||
|
|
||||||
V_total = REAL(math_mul33x33(Vectors, math_mul33x33(diag, transpose(Vectors))))
|
|
||||||
eqTotalStrain = math_equivStrain33(V_total)
|
|
||||||
|
|
||||||
do k = 1_pInt, mesh_NcpElems; do j = 1_pInt, mesh_maxNips; do i = 1_pInt,homogenization_maxNgrains
|
|
||||||
Fe(1:3,1:3,i,j,k) = crystallite_Fe(1:3,1:3,i,j,k)
|
|
||||||
Fe(1:3,1:3,i,j,k) = math_rotate_forward33(Fe(1:3,1:3,i,j,k),rotation_BC)
|
|
||||||
Be(1:3,1:3,i,j,k) = math_mul33x33(Fe(1:3,1:3,i,j,k),math_transpose33(Fe(1:3,1:3,i,j,k))) ! elastic part of left Cauchy–Green deformation tensor
|
|
||||||
Ve(1:3,1:3,i,j,k) = math_eigenvectorBasisSym33_log(Be(1:3,1:3,i,j,k))
|
|
||||||
enddo; enddo; enddo
|
|
||||||
|
|
||||||
Ve_av = sum(sum(sum(Ve,dim=5),dim=4),dim=3) * wgtm
|
|
||||||
call MPI_Allreduce(MPI_IN_PLACE,Ve_av,9,MPI_DOUBLE,MPI_SUM,PETSC_COMM_WORLD,ierr)
|
|
||||||
|
|
||||||
Vp = V_total - Ve_av
|
|
||||||
|
|
||||||
eqPlasticStrain = math_equivStrain33(Vp)
|
|
||||||
|
|
||||||
plasticStrain = Vp
|
|
||||||
|
|
||||||
plasticWork = plasticWorkOld + 0.5*(eqStressOld + eqStress) * (eqPlasticStrain - eqPlasticStrainOld)
|
|
||||||
|
|
||||||
end subroutine utilities_calcPlasticity
|
|
||||||
|
|
||||||
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
!> @brief calculates forward rate, either guessing or just add delta/timeinc
|
!> @brief calculates forward rate, either guessing or just add delta/timeinc
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
pure function utilities_calculateRate(avRate,timeinc_old,guess,field_lastInc,field)
|
pure function utilities_calculateRate(heterogeneous,field0,field,dt,avRate)
|
||||||
use mesh, only: &
|
use mesh, only: &
|
||||||
grid3, &
|
grid3, &
|
||||||
grid
|
grid
|
||||||
|
|
@ -1179,17 +1041,17 @@ pure function utilities_calculateRate(avRate,timeinc_old,guess,field_lastInc,fie
|
||||||
implicit none
|
implicit none
|
||||||
real(pReal), intent(in), dimension(3,3) :: avRate !< homogeneous addon
|
real(pReal), intent(in), dimension(3,3) :: avRate !< homogeneous addon
|
||||||
real(pReal), intent(in) :: &
|
real(pReal), intent(in) :: &
|
||||||
timeinc_old !< timeinc of last step
|
dt !< timeinc between field0 and field
|
||||||
logical, intent(in) :: &
|
logical, intent(in) :: &
|
||||||
guess !< guess along former trajectory
|
heterogeneous !< calculate field of rates
|
||||||
real(pReal), intent(in), dimension(3,3,grid(1),grid(2),grid3) :: &
|
real(pReal), intent(in), dimension(3,3,grid(1),grid(2),grid3) :: &
|
||||||
field_lastInc, & !< data of previous step
|
field0, & !< data of previous step
|
||||||
field !< data of current step
|
field !< data of current step
|
||||||
real(pReal), dimension(3,3,grid(1),grid(2),grid3) :: &
|
real(pReal), dimension(3,3,grid(1),grid(2),grid3) :: &
|
||||||
utilities_calculateRate
|
utilities_calculateRate
|
||||||
|
|
||||||
if (guess) then
|
if (heterogeneous) then
|
||||||
utilities_calculateRate = (field-field_lastInc) / timeinc_old
|
utilities_calculateRate = (field-field0) / dt
|
||||||
else
|
else
|
||||||
utilities_calculateRate = spread(spread(spread(avRate,3,grid(1)),4,grid(2)),5,grid3)
|
utilities_calculateRate = spread(spread(spread(avRate,3,grid(1)),4,grid(2)),5,grid3)
|
||||||
endif
|
endif
|
||||||
|
|
|
||||||
Loading…
Reference in New Issue